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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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/MVEV-19f6b2d8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MVEV-19f6b2d8/inputs/seq.fa: 1
curr_seq: _GGGGAGAAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGAGAAGACCACAGGAUCU
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -136.639688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.639688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.639688 (E_RNA)
where:
Base-Base interactions energy: -65.850
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.019
local terms energy: -70.770913
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -14.047
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.589869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.589869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.589869 (E_RNA)
where:
Base-Base interactions energy: -71.368
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.157
local terms energy: -69.065213
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -110.001681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.001681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.001681 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.051
local terms energy: -61.041927
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -10.048
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -138.310722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.310722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.310722 (E_RNA)
where:
Base-Base interactions energy: -85.853
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.179
local terms energy: -52.279182
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -114.790245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790245 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -41.427
Base-Backbone interact. energy: -0.042
local terms energy: -60.963410
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -114.451521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.451521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.451521 (E_RNA)
where:
Base-Base interactions energy: -58.718
where: short stacking energy: -46.024
Base-Backbone interact. energy: -0.017
local terms energy: -55.716858
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -9.115
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -94.002488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.002488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.002488 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.191
local terms energy: -48.143512
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -87.166947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.166947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.166947 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.033
local terms energy: -47.949400
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.254
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -85.047608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.047608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.047608 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.213
local terms energy: -50.204001
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -6.060
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -80.844882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.844882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.844882 (E_RNA)
where:
Base-Base interactions energy: -9.405
where: short stacking energy: -9.405
Base-Backbone interact. energy: -0.000
local terms energy: -71.439891
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -4.258
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -166.153638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.153638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.153638 (E_RNA)
where:
Base-Base interactions energy: -94.980
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.015
local terms energy: -71.158703
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -134.012941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.012941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.012941 (E_RNA)
where:
Base-Base interactions energy: -75.550
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.381
local terms energy: -58.081455
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -117.644643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.644643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.644643 (E_RNA)
where:
Base-Base interactions energy: -50.968
where: short stacking energy: -50.574
Base-Backbone interact. energy: -0.077
local terms energy: -66.600388
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -145.069837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.069837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.069837 (E_RNA)
where:
Base-Base interactions energy: -86.228
where: short stacking energy: -52.469
Base-Backbone interact. energy: -0.104
local terms energy: -58.738472
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -162.504926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.504926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.504926 (E_RNA)
where:
Base-Base interactions energy: -97.677
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.398
local terms energy: -64.429810
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -108.081005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.081005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.081005 (E_RNA)
where:
Base-Base interactions energy: -54.523
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.317
local terms energy: -53.241035
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -3.238
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -101.753116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.753116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.753116 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -37.589
Base-Backbone interact. energy: -0.100
local terms energy: -61.736674
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -101.517278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.517278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.517278 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.045
local terms energy: -58.325255
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -87.212179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.212179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.212179 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.202
local terms energy: -54.220018
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -5.492
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -82.564765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.564765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.564765 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.143
local terms energy: -41.811426
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -7.305
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -155.614823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.614823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.614823 (E_RNA)
where:
Base-Base interactions energy: -85.361
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.057
local terms energy: -70.197071
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -184.883463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.883463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883463 (E_RNA)
where:
Base-Base interactions energy: -121.332
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.297
local terms energy: -63.255029
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.717
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -176.066438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.066438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.066438 (E_RNA)
where:
Base-Base interactions energy: -110.323
where: short stacking energy: -54.083
Base-Backbone interact. energy: -1.116
local terms energy: -64.627037
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -113.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.411598 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.195
local terms energy: -64.205986
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -164.721239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.721239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.721239 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.361
local terms energy: -54.310208
where:
bonds (distance) C4'-P energy: -2.411
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.380
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -141.251916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.251916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.251916 (E_RNA)
where:
Base-Base interactions energy: -85.695
where: short stacking energy: -42.010
Base-Backbone interact. energy: -0.097
local terms energy: -55.460246
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -94.335734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.335734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.335734 (E_RNA)
where:
Base-Base interactions energy: -33.362
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.259
local terms energy: -60.715386
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -2.771
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -85.388714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.388714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.388714 (E_RNA)
where:
Base-Base interactions energy: -41.044
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.120
local terms energy: -44.225014
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -8.212
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -99.179120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.179120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.179120 (E_RNA)
where:
Base-Base interactions energy: -55.905
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.196
local terms energy: -43.078423
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: 2.433
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -81.503872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503872 (E_RNA)
where:
Base-Base interactions energy: -28.818
where: short stacking energy: -27.908
Base-Backbone interact. energy: 1.854
local terms energy: -54.539895
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -164.200620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.200620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.200620 (E_RNA)
where:
Base-Base interactions energy: -93.358
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.680
local terms energy: -70.162762
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -193.434628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.434628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.434628 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -58.103
Base-Backbone interact. energy: -0.016
local terms energy: -73.107458
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -179.790108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.790108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.790108 (E_RNA)
where:
Base-Base interactions energy: -109.267
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.004
local terms energy: -70.519696
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -170.740416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.740416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.740416 (E_RNA)
where:
Base-Base interactions energy: -108.327
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.008
local terms energy: -62.405546
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -3.647
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: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -141.403781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.403781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.403781 (E_RNA)
where:
Base-Base interactions energy: -85.385
where: short stacking energy: -41.270
Base-Backbone interact. energy: 0.192
local terms energy: -56.210489
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -137.112093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.112093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.112093 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.513
local terms energy: -45.210606
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -6.060
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: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -133.196677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.196677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.196677 (E_RNA)
where:
Base-Base interactions energy: -79.232
where: short stacking energy: -44.638
Base-Backbone interact. energy: -0.400
local terms energy: -53.564532
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -96.321937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321937 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.045
local terms energy: -56.028153
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -107.072809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072809 (E_RNA)
where:
Base-Base interactions energy: -56.593
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.154
local terms energy: -50.325275
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -79.241115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241115 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.210
local terms energy: -51.520876
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -195.967592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967592 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.084
local terms energy: -73.316588
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -157.820193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.820193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.820193 (E_RNA)
where:
Base-Base interactions energy: -84.384
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.051
local terms energy: -73.385063
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -182.204591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.204591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.204591 (E_RNA)
where:
Base-Base interactions energy: -117.519
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.082
local terms energy: -64.603401
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -10.297
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -162.332136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.332136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.332136 (E_RNA)
where:
Base-Base interactions energy: -84.801
where: short stacking energy: -54.838
Base-Backbone interact. energy: 0.499
local terms energy: -78.029693
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -162.575414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.575414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.575414 (E_RNA)
where:
Base-Base interactions energy: -104.158
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.547
local terms energy: -57.870945
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -156.642165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.642165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.642165 (E_RNA)
where:
Base-Base interactions energy: -102.301
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.093
local terms energy: -54.248707
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -100.408814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.408814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.408814 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.007
local terms energy: -58.764523
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -137.021363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.021363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.021363 (E_RNA)
where:
Base-Base interactions energy: -84.834
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.039
local terms energy: -52.148060
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -6.505
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: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -100.986299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.986299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.986299 (E_RNA)
where:
Base-Base interactions energy: -40.586
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.379
local terms energy: -60.021860
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -9.158
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -77.735200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735200 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -28.595
Base-Backbone interact. energy: -0.030
local terms energy: -46.900327
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.582
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: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -203.239806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.239806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.239806 (E_RNA)
where:
Base-Base interactions energy: -131.160
where: short stacking energy: -66.097
Base-Backbone interact. energy: 0.033
local terms energy: -72.112774
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.311
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: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -176.963160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.963160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.963160 (E_RNA)
where:
Base-Base interactions energy: -110.636
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.015
local terms energy: -66.312320
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.167
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: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -154.859620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.859620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.859620 (E_RNA)
where:
Base-Base interactions energy: -89.237
where: short stacking energy: -55.714
Base-Backbone interact. energy: -0.483
local terms energy: -65.139136
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -6.169
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: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -180.815824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815824 (E_RNA)
where:
Base-Base interactions energy: -110.004
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.121
local terms energy: -70.690859
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -9.854
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -169.188814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.188814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.188814 (E_RNA)
where:
Base-Base interactions energy: -103.146
where: short stacking energy: -52.714
Base-Backbone interact. energy: -0.358
local terms energy: -65.684455
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.486
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: 6, replica: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -176.000582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.000582 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.653
local terms energy: -57.130449
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -13.554
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: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -98.685431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.685431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.685431 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.109
local terms energy: -58.066242
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -84.136783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136783 (E_RNA)
where:
Base-Base interactions energy: -33.411
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.146
local terms energy: -50.579871
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -131.350960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.350960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.350960 (E_RNA)
where:
Base-Base interactions energy: -95.803
where: short stacking energy: -40.933
Base-Backbone interact. energy: -0.150
local terms energy: -35.397943
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -3.780
flat angles C4'-P-C4' energy: -4.072
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -74.153187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.153187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.153187 (E_RNA)
where:
Base-Base interactions energy: -19.817
where: short stacking energy: -19.817
Base-Backbone interact. energy: -0.045
local terms energy: -54.290956
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -212.677458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.677458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.677458 (E_RNA)
where:
Base-Base interactions energy: -135.839
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.025
local terms energy: -76.813459
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -194.494505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.494505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.494505 (E_RNA)
where:
Base-Base interactions energy: -120.402
where: short stacking energy: -60.077
Base-Backbone interact. energy: -0.012
local terms energy: -74.080176
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -181.686216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686216 (E_RNA)
where:
Base-Base interactions energy: -116.248
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.012
local terms energy: -65.426244
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -156.782687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.782687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.782687 (E_RNA)
where:
Base-Base interactions energy: -98.888
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.436
local terms energy: -57.458088
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -187.396880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.396880 (E_RNA)
where:
Base-Base interactions energy: -119.530
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.409
local terms energy: -67.457478
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -162.512416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.512416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.512416 (E_RNA)
where:
Base-Base interactions energy: -97.243
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.088
local terms energy: -65.181052
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -10.616
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -102.146678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.146678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.146678 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -41.567
Base-Backbone interact. energy: -0.084
local terms energy: -60.068109
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.070
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -91.038124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038124 (E_RNA)
where:
Base-Base interactions energy: -39.352
where: short stacking energy: -34.892
Base-Backbone interact. energy: -0.179
local terms energy: -51.507355
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -110.561805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.561805 (E_RNA)
where:
Base-Base interactions energy: -57.225
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.078
local terms energy: -53.258955
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -76.409900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409900 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.005
local terms energy: -42.071607
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -2.136
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -5.229
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: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -214.817408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.817408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.817408 (E_RNA)
where:
Base-Base interactions energy: -140.813
where: short stacking energy: -68.828
Base-Backbone interact. energy: 0.165
local terms energy: -74.169613
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -12.924
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -199.854491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.854491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.854491 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.114
local terms energy: -74.275815
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -196.522964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.522964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522964 (E_RNA)
where:
Base-Base interactions energy: -128.328
where: short stacking energy: -59.568
Base-Backbone interact. energy: -0.012
local terms energy: -68.183001
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -189.735228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.735228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.735228 (E_RNA)
where:
Base-Base interactions energy: -120.415
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.112
local terms energy: -69.208226
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -153.196269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.196269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.196269 (E_RNA)
where:
Base-Base interactions energy: -95.458
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.704
local terms energy: -57.034566
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -94.883509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883509 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.946
local terms energy: -52.726052
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -167.781411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781411 (E_RNA)
where:
Base-Base interactions energy: -104.512
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.123
local terms energy: -63.147150
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -99.434268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.434268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.434268 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -38.061
Base-Backbone interact. energy: -0.827
local terms energy: -58.820935
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -85.733674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733674 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.116
local terms energy: -39.729472
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -2.813
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -85.131007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.131007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.131007 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -32.487
Base-Backbone interact. energy: -0.541
local terms energy: -52.103362
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -198.749062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.749062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.749062 (E_RNA)
where:
Base-Base interactions energy: -123.790
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.044
local terms energy: -74.915075
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -217.289435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.289435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.289435 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.707
local terms energy: -76.326690
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -8.640
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: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -213.158337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.158337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.158337 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.264
local terms energy: -64.340561
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -191.345618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.345618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.345618 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.160
local terms energy: -64.152384
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -150.462303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.462303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.462303 (E_RNA)
where:
Base-Base interactions energy: -89.215
where: short stacking energy: -35.061
Base-Backbone interact. energy: 1.180
local terms energy: -62.426873
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -98.941276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941276 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -38.827
Base-Backbone interact. energy: 0.152
local terms energy: -53.745446
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -160.150084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.150084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.150084 (E_RNA)
where:
Base-Base interactions energy: -91.355
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.211
local terms energy: -68.584599
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -80.107748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.107748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.107748 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.139
local terms energy: -46.747186
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.232
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -86.800335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800335 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -27.649
Base-Backbone interact. energy: -0.159
local terms energy: -58.973284
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -2.764
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -82.452952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.452952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.452952 (E_RNA)
where:
Base-Base interactions energy: -27.145
where: short stacking energy: -25.464
Base-Backbone interact. energy: -0.195
local terms energy: -55.112971
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -194.739924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.739924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.739924 (E_RNA)
where:
Base-Base interactions energy: -126.044
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.708
local terms energy: -67.988367
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -5.968
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -217.634301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.634301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.634301 (E_RNA)
where:
Base-Base interactions energy: -142.084
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.177
local terms energy: -75.373060
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -23.129
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -202.562989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562989 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.127
local terms energy: -69.669310
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -12.534
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: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -186.906573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.906573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.906573 (E_RNA)
where:
Base-Base interactions energy: -115.334
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.096
local terms energy: -71.477277
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -15.450
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -180.718118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.718118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.718118 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.491
local terms energy: -65.054995
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -11.122
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -165.169429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.169429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.169429 (E_RNA)
where:
Base-Base interactions energy: -101.129
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.722
local terms energy: -63.318444
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -107.492981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.492981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.492981 (E_RNA)
where:
Base-Base interactions energy: -49.042
where: short stacking energy: -41.402
Base-Backbone interact. energy: 0.026
local terms energy: -58.476967
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -7.421
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -87.563204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563204 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.672
local terms energy: -51.119552
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -1.773
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.488497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488497 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.109
local terms energy: -53.916695
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -78.031327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031327 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -32.266
Base-Backbone interact. energy: -0.126
local terms energy: -40.495614
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -211.607797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.607797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.607797 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -57.718
Base-Backbone interact. energy: -2.020
local terms energy: -69.637800
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -186.168282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.168282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.168282 (E_RNA)
where:
Base-Base interactions energy: -111.145
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.047
local terms energy: -74.976234
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -15.001
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: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -207.250249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.250249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.250249 (E_RNA)
where:
Base-Base interactions energy: -139.194
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.236
local terms energy: -67.820594
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -187.043609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043609 (E_RNA)
where:
Base-Base interactions energy: -118.694
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.120
local terms energy: -68.229533
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -14.018
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: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -161.910548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.910548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.910548 (E_RNA)
where:
Base-Base interactions energy: -101.112
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.100
local terms energy: -60.698849
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -154.681535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.681535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.681535 (E_RNA)
where:
Base-Base interactions energy: -98.090
where: short stacking energy: -42.302
Base-Backbone interact. energy: -1.392
local terms energy: -55.199181
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -93.918919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.918919 (E_RNA)
where:
Base-Base interactions energy: -43.157
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.168
local terms energy: -50.593651
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -1.605
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: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -95.031972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.031972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.031972 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.335
local terms energy: -56.796109
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -8.265
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -86.542861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.542861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.542861 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.151
local terms energy: -53.227829
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.589286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.589286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.589286 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.965
Base-Backbone interact. energy: 0.761
local terms energy: -43.604913
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -211.606038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.606038 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.045
local terms energy: -75.197770
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.992
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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -224.359102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.359102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.359102 (E_RNA)
where:
Base-Base interactions energy: -155.984
where: short stacking energy: -58.747
Base-Backbone interact. energy: 0.618
local terms energy: -68.992719
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -174.561349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.561349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.561349 (E_RNA)
where:
Base-Base interactions energy: -102.809
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.787
local terms energy: -70.965887
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -168.473082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.473082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473082 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.104
local terms energy: -61.578590
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -9.895
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: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -184.541514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.541514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.541514 (E_RNA)
where:
Base-Base interactions energy: -120.014
where: short stacking energy: -62.479
Base-Backbone interact. energy: 0.650
local terms energy: -65.177809
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -161.367329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.367329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.367329 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -50.855
Base-Backbone interact. energy: -1.313
local terms energy: -54.257221
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -89.412655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.412655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.412655 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.180
local terms energy: -58.622105
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -90.530612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530612 (E_RNA)
where:
Base-Base interactions energy: -47.766
where: short stacking energy: -39.176
Base-Backbone interact. energy: -0.138
local terms energy: -42.626781
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.989949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989949 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.417
local terms energy: -55.027783
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.760
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: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -81.971370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.971370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.971370 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.430
local terms energy: -43.205353
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -0.493
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: 14
Temperature: 0.900000
Total energy: -211.116827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.116827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.116827 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.019
local terms energy: -75.692532
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -230.219483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.219483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.219483 (E_RNA)
where:
Base-Base interactions energy: -160.962
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.848
local terms energy: -68.409439
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -17.156
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: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -169.310122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.310122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.310122 (E_RNA)
where:
Base-Base interactions energy: -104.255
where: short stacking energy: -49.445
Base-Backbone interact. energy: -0.016
local terms energy: -65.039146
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -166.625180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.625180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.625180 (E_RNA)
where:
Base-Base interactions energy: -99.785
where: short stacking energy: -50.059
Base-Backbone interact. energy: -1.530
local terms energy: -65.310137
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -159.595603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.595603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.595603 (E_RNA)
where:
Base-Base interactions energy: -99.939
where: short stacking energy: -52.204
Base-Backbone interact. energy: -0.486
local terms energy: -59.170232
where:
bonds (distance) C4'-P energy: -6.536
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -155.787751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.787751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.787751 (E_RNA)
where:
Base-Base interactions energy: -98.367
where: short stacking energy: -45.513
Base-Backbone interact. energy: -0.109
local terms energy: -57.312593
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -105.165622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.165622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.165622 (E_RNA)
where:
Base-Base interactions energy: -55.491
where: short stacking energy: -24.536
Base-Backbone interact. energy: -1.168
local terms energy: -48.506800
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -83.788275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788275 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.358
local terms energy: -53.292588
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.356
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: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -85.547038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.547038 (E_RNA)
where:
Base-Base interactions energy: -41.882
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.571
local terms energy: -43.094199
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -80.611190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.611190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.611190 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -27.788
Base-Backbone interact. energy: -0.449
local terms energy: -52.374360
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -214.675849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.675849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675849 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -70.302
Base-Backbone interact. energy: -0.012
local terms energy: -75.810832
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -228.999466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.999466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.999466 (E_RNA)
where:
Base-Base interactions energy: -156.926
where: short stacking energy: -65.274
Base-Backbone interact. energy: -1.293
local terms energy: -70.779641
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -170.355278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.355278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.355278 (E_RNA)
where:
Base-Base interactions energy: -100.109
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.060
local terms energy: -70.186244
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -197.625103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.625103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.625103 (E_RNA)
where:
Base-Base interactions energy: -124.329
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.104
local terms energy: -73.191821
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -19.966
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: 15
Temperature: 1.100000
Total energy: -180.283060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.283060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.283060 (E_RNA)
where:
Base-Base interactions energy: -115.816
where: short stacking energy: -58.622
Base-Backbone interact. energy: 0.611
local terms energy: -65.077934
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -119.895354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.895354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.895354 (E_RNA)
where:
Base-Base interactions energy: -60.368
where: short stacking energy: -36.297
Base-Backbone interact. energy: 0.173
local terms energy: -59.700015
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.266
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: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -101.171507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.171507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.171507 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -41.507
Base-Backbone interact. energy: 0.092
local terms energy: -56.274583
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -8.872
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: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -83.653764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.653764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.653764 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.102
local terms energy: -52.646284
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -90.693288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.693288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.693288 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.072
local terms energy: -60.166589
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.152995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.152995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.152995 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.216
local terms energy: -47.451741
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -227.145235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.145235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.145235 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -67.478
Base-Backbone interact. energy: -1.504
local terms energy: -77.292522
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -213.809920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.809920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.809920 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.008
local terms energy: -78.258650
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.272
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: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -207.283048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283048 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.076
local terms energy: -67.769146
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.905
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -153.720063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.720063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.720063 (E_RNA)
where:
Base-Base interactions energy: -91.854
where: short stacking energy: -43.084
Base-Backbone interact. energy: -0.250
local terms energy: -61.615918
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -111.074619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.074619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.074619 (E_RNA)
where:
Base-Base interactions energy: -46.917
where: short stacking energy: -45.765
Base-Backbone interact. energy: 0.104
local terms energy: -64.261797
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -6.056
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: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -159.695503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.695503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.695503 (E_RNA)
where:
Base-Base interactions energy: -105.283
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.765
local terms energy: -53.647050
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -92.891014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.891014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.891014 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -34.474
Base-Backbone interact. energy: 1.246
local terms energy: -51.549602
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -3.600
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: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -78.550119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.550119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.550119 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -13.690
Base-Backbone interact. energy: -0.756
local terms energy: -44.002332
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: 3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -91.294890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.294890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.294890 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -24.950
Base-Backbone interact. energy: -1.265
local terms energy: -51.412701
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: 1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -76.216945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.216945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.216945 (E_RNA)
where:
Base-Base interactions energy: -26.588
where: short stacking energy: -20.532
Base-Backbone interact. energy: -0.084
local terms energy: -49.544409
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -4.165
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -251.371388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.371388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.371388 (E_RNA)
where:
Base-Base interactions energy: -176.087
where: short stacking energy: -64.057
Base-Backbone interact. energy: -1.216
local terms energy: -74.068754
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.651
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: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -214.346081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.346081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.346081 (E_RNA)
where:
Base-Base interactions energy: -138.620
where: short stacking energy: -70.086
Base-Backbone interact. energy: 0.402
local terms energy: -76.128099
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.890
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -210.148395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.148395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148395 (E_RNA)
where:
Base-Base interactions energy: -142.345
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.007
local terms energy: -67.796973
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -155.631334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.631334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.631334 (E_RNA)
where:
Base-Base interactions energy: -92.156
where: short stacking energy: -54.342
Base-Backbone interact. energy: 1.114
local terms energy: -64.589233
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -102.981926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.981926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.981926 (E_RNA)
where:
Base-Base interactions energy: -47.187
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.001
local terms energy: -55.793599
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -97.857560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.857560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.857560 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.203
local terms energy: -53.947469
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -156.581357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.581357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.581357 (E_RNA)
where:
Base-Base interactions energy: -98.117
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.611
local terms energy: -57.853554
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -103.862335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.862335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.862335 (E_RNA)
where:
Base-Base interactions energy: -54.303
where: short stacking energy: -29.037
Base-Backbone interact. energy: -1.102
local terms energy: -48.457059
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -84.581183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581183 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.055
local terms energy: -50.426175
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -79.644382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.644382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.644382 (E_RNA)
where:
Base-Base interactions energy: -26.346
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.200
local terms energy: -53.098837
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -255.498145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.498145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.498145 (E_RNA)
where:
Base-Base interactions energy: -183.640
where: short stacking energy: -63.687
Base-Backbone interact. energy: -1.126
local terms energy: -70.731767
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -8.578
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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -214.483571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.483571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.483571 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.447
local terms energy: -72.729634
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -207.554598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.554598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.554598 (E_RNA)
where:
Base-Base interactions energy: -139.005
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.003
local terms energy: -68.545919
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -17.567
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: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -175.446621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.446621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.446621 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.577
local terms energy: -69.254784
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -117.271133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.271133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.271133 (E_RNA)
where:
Base-Base interactions energy: -55.515
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.039
local terms energy: -61.717324
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -113.132981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.132981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.132981 (E_RNA)
where:
Base-Base interactions energy: -51.604
where: short stacking energy: -50.055
Base-Backbone interact. energy: -0.189
local terms energy: -61.339947
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -11.917
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: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -135.281048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.281048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.281048 (E_RNA)
where:
Base-Base interactions energy: -87.803
where: short stacking energy: -37.829
Base-Backbone interact. energy: -0.154
local terms energy: -47.323408
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -7.400
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -7.513
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -130.680344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.680344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.680344 (E_RNA)
where:
Base-Base interactions energy: -77.747
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.675
local terms energy: -52.257787
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -6.035
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: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -87.113660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113660 (E_RNA)
where:
Base-Base interactions energy: -31.812
where: short stacking energy: -31.812
Base-Backbone interact. energy: 2.934
local terms energy: -58.235606
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.882
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: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -83.598894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.598894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.598894 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -35.183
Base-Backbone interact. energy: -0.073
local terms energy: -45.002716
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -7.191
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -240.677861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.677861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677861 (E_RNA)
where:
Base-Base interactions energy: -176.203
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.800
local terms energy: -63.674162
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.381
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: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -220.609457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609457 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -73.940
Base-Backbone interact. energy: -0.000
local terms energy: -75.888253
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -213.199685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.199685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.199685 (E_RNA)
where:
Base-Base interactions energy: -135.949
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.371
local terms energy: -76.879138
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -8.980
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: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -184.786506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.786506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.786506 (E_RNA)
where:
Base-Base interactions energy: -115.929
where: short stacking energy: -55.250
Base-Backbone interact. energy: -0.010
local terms energy: -68.847567
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -101.531137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531137 (E_RNA)
where:
Base-Base interactions energy: -47.748
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.590
local terms energy: -53.192502
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -6.648
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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -140.522275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.522275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.522275 (E_RNA)
where:
Base-Base interactions energy: -83.509
where: short stacking energy: -50.283
Base-Backbone interact. energy: -1.444
local terms energy: -55.568970
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -95.656670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.656670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.656670 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -37.518
Base-Backbone interact. energy: -1.921
local terms energy: -51.972110
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -104.741258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.741258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.741258 (E_RNA)
where:
Base-Base interactions energy: -64.199
where: short stacking energy: -31.854
Base-Backbone interact. energy: 0.175
local terms energy: -40.717285
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -80.335197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.335197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.335197 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -40.846
Base-Backbone interact. energy: -0.073
local terms energy: -39.416415
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -7.783
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -4.391
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: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -79.411667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.411667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.411667 (E_RNA)
where:
Base-Base interactions energy: -32.655
where: short stacking energy: -31.824
Base-Backbone interact. energy: 0.061
local terms energy: -46.817234
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -1.021
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -243.156556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.156556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.156556 (E_RNA)
where:
Base-Base interactions energy: -170.617
where: short stacking energy: -65.870
Base-Backbone interact. energy: -0.890
local terms energy: -71.649560
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -6.912
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -213.590587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590587 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -70.112
Base-Backbone interact. energy: -0.004
local terms energy: -73.546356
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -217.192601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.192601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192601 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.005
local terms energy: -74.554609
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -182.682401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.682401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682401 (E_RNA)
where:
Base-Base interactions energy: -111.018
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.005
local terms energy: -71.659553
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -160.526872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.526872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.526872 (E_RNA)
where:
Base-Base interactions energy: -98.217
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.215
local terms energy: -62.095055
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -101.385336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.385336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.385336 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.002
local terms energy: -58.074028
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -93.046782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.046782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.046782 (E_RNA)
where:
Base-Base interactions energy: -44.585
where: short stacking energy: -28.496
Base-Backbone interact. energy: -1.049
local terms energy: -47.412596
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.531882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.531882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.531882 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.179
local terms energy: -54.825353
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -5.790
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: 20
Temperature: 1.300000
Total energy: -87.426846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.426846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.426846 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -33.418
Base-Backbone interact. energy: -1.180
local terms energy: -52.139591
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -4.674
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -70.641127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.641127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.641127 (E_RNA)
where:
Base-Base interactions energy: -22.274
where: short stacking energy: -22.274
Base-Backbone interact. energy: -0.231
local terms energy: -48.135457
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -5.355
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: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -239.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.023415 (E_RNA)
where:
Base-Base interactions energy: -168.020
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.243
local terms energy: -70.761073
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -210.605543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.605543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.605543 (E_RNA)
where:
Base-Base interactions energy: -130.303
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.080
local terms energy: -80.222313
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -218.088007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.088007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.088007 (E_RNA)
where:
Base-Base interactions energy: -143.385
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.003
local terms energy: -74.700062
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -182.060813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.060813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.060813 (E_RNA)
where:
Base-Base interactions energy: -111.728
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.399
local terms energy: -69.933987
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.897
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -180.598241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.598241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.598241 (E_RNA)
where:
Base-Base interactions energy: -111.596
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.022
local terms energy: -68.980779
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -86.890631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890631 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -33.546
Base-Backbone interact. energy: -1.065
local terms energy: -52.279367
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -101.829848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.829848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.829848 (E_RNA)
where:
Base-Base interactions energy: -52.341
where: short stacking energy: -38.610
Base-Backbone interact. energy: 0.016
local terms energy: -49.505103
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -100.307802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.307802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.307802 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.071
local terms energy: -62.100540
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -10.461
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: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -90.006016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.006016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.006016 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -39.534
Base-Backbone interact. energy: -0.171
local terms energy: -50.300929
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -78.933911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933911 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.206
local terms energy: -41.829197
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -6.844
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: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -223.682584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.682584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.682584 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -76.014
Base-Backbone interact. energy: -0.008
local terms energy: -77.642536
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -234.348713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.348713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.348713 (E_RNA)
where:
Base-Base interactions energy: -173.014
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.143
local terms energy: -61.192165
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -2.522
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -192.947494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.947494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.947494 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -67.225
Base-Backbone interact. energy: -1.942
local terms energy: -72.637574
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -207.715134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.715134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.715134 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.022
local terms energy: -73.158054
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -185.539980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.539980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.539980 (E_RNA)
where:
Base-Base interactions energy: -118.092
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.019
local terms energy: -67.428599
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -112.239614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.239614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.239614 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -42.804
Base-Backbone interact. energy: 0.574
local terms energy: -62.963784
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -91.989889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.989889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.989889 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.620
local terms energy: -56.972560
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -8.584
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: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -104.107310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.107310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.107310 (E_RNA)
where:
Base-Base interactions energy: -57.126
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.077
local terms energy: -46.904348
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -12.235
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: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.204468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.204468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.204468 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.085
local terms energy: -46.312660
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -6.863
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -7.536
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: 22
Temperature: 1.350000
Total energy: -78.237909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237909 (E_RNA)
where:
Base-Base interactions energy: -27.417
where: short stacking energy: -27.417
Base-Backbone interact. energy: -0.052
local terms energy: -50.769158
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -204.023396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.023396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.023396 (E_RNA)
where:
Base-Base interactions energy: -128.818
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.105
local terms energy: -75.100239
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -185.728091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.728091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.728091 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.024
local terms energy: -72.518215
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -9.220
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -232.644358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.644358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.644358 (E_RNA)
where:
Base-Base interactions energy: -165.445
where: short stacking energy: -58.446
Base-Backbone interact. energy: -0.754
local terms energy: -66.445394
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -14.834
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: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -196.175956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.175956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.175956 (E_RNA)
where:
Base-Base interactions energy: -126.218
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.430
local terms energy: -69.527785
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -13.962
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: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -183.069872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.069872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.069872 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.012
local terms energy: -71.805636
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -8.836
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: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -109.597961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.597961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.597961 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.517
local terms energy: -56.005500
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -88.923243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.923243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.923243 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -34.202
Base-Backbone interact. energy: 3.121
local terms energy: -53.796091
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -5.725
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -83.374621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374621 (E_RNA)
where:
Base-Base interactions energy: -25.389
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.245
local terms energy: -57.740048
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -85.112860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112860 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.026
local terms energy: -44.091588
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -79.288088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.288088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.288088 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.382
local terms energy: -45.245189
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -6.498
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: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -209.846233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.846233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.846233 (E_RNA)
where:
Base-Base interactions energy: -136.348
where: short stacking energy: -71.164
Base-Backbone interact. energy: -0.060
local terms energy: -73.438097
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -5.464
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: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -175.495307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.495307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.495307 (E_RNA)
where:
Base-Base interactions energy: -106.770
where: short stacking energy: -56.162
Base-Backbone interact. energy: 0.902
local terms energy: -69.627238
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -203.725911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.725911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.725911 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.026
local terms energy: -69.429027
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.913
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: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -225.445476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.445476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.445476 (E_RNA)
where:
Base-Base interactions energy: -159.839
where: short stacking energy: -56.474
Base-Backbone interact. energy: -1.087
local terms energy: -64.518801
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -188.750742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.750742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.750742 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.011
local terms energy: -73.976017
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -134.463871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.463871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.463871 (E_RNA)
where:
Base-Base interactions energy: -65.977
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.001
local terms energy: -68.485952
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -91.100184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.100184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.100184 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -45.254
Base-Backbone interact. energy: -0.119
local terms energy: -45.727254
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -91.886294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886294 (E_RNA)
where:
Base-Base interactions energy: -28.947
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.179
local terms energy: -62.759735
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.125
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: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -88.491639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491639 (E_RNA)
where:
Base-Base interactions energy: -36.954
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.088
local terms energy: -51.449468
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -115.850965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.850965 (E_RNA)
where:
Base-Base interactions energy: -62.285
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.285
local terms energy: -53.280694
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -218.406761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.406761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.406761 (E_RNA)
where:
Base-Base interactions energy: -137.180
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.539
local terms energy: -80.687780
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -193.520380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.520380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.520380 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.100
local terms energy: -68.809531
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -171.197906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.197906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.197906 (E_RNA)
where:
Base-Base interactions energy: -99.764
where: short stacking energy: -49.082
Base-Backbone interact. energy: -1.670
local terms energy: -69.763990
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -12.186
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: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -240.040352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.040352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.040352 (E_RNA)
where:
Base-Base interactions energy: -170.331
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.173
local terms energy: -69.536595
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -181.758034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.758034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.758034 (E_RNA)
where:
Base-Base interactions energy: -109.628
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.010
local terms energy: -72.119763
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.421
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: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -98.139322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.139322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.139322 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -37.440
Base-Backbone interact. energy: 0.236
local terms energy: -60.935478
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -89.241988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241988 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -34.621
Base-Backbone interact. energy: 0.197
local terms energy: -54.818088
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -93.716640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716640 (E_RNA)
where:
Base-Base interactions energy: -48.544
where: short stacking energy: -23.229
Base-Backbone interact. energy: -0.277
local terms energy: -44.895626
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -3.646
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -85.375076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.375076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.375076 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.106
local terms energy: -50.065365
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -0.764
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -86.433511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433511 (E_RNA)
where:
Base-Base interactions energy: -43.013
where: short stacking energy: -23.281
Base-Backbone interact. energy: 0.515
local terms energy: -43.935670
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -6.139
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -202.386416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.386416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.386416 (E_RNA)
where:
Base-Base interactions energy: -126.544
where: short stacking energy: -65.706
Base-Backbone interact. energy: -0.129
local terms energy: -75.713338
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.938
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -208.512023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.512023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.512023 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.213
local terms energy: -74.142286
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -233.260815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.260815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.260815 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.113
local terms energy: -63.003328
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -180.546890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546890 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.722
local terms energy: -69.089404
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.862
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -163.452359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.452359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.452359 (E_RNA)
where:
Base-Base interactions energy: -103.412
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.069
local terms energy: -59.971247
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -98.285473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285473 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -38.530
Base-Backbone interact. energy: -0.173
local terms energy: -59.582881
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -2.826
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: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -96.421954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421954 (E_RNA)
where:
Base-Base interactions energy: -56.836
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.473
local terms energy: -39.113245
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: 5.126
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: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -96.644776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644776 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -32.082
Base-Backbone interact. energy: -1.169
local terms energy: -35.439696
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -4.729
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -70.344499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.344499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.344499 (E_RNA)
where:
Base-Base interactions energy: -25.519
where: short stacking energy: -25.519
Base-Backbone interact. energy: -0.390
local terms energy: -44.435225
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.689613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689613 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.206
local terms energy: -47.441405
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -205.574023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.574023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.574023 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.786
local terms energy: -73.669584
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -9.926
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: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -244.502879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.502879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.502879 (E_RNA)
where:
Base-Base interactions energy: -176.028
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.339
local terms energy: -68.136192
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -204.873285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873285 (E_RNA)
where:
Base-Base interactions energy: -129.395
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.102
local terms energy: -75.375585
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -177.657316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.657316 (E_RNA)
where:
Base-Base interactions energy: -104.083
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.157
local terms energy: -73.417825
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.039
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -177.688209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.688209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.688209 (E_RNA)
where:
Base-Base interactions energy: -112.521
where: short stacking energy: -65.606
Base-Backbone interact. energy: 0.604
local terms energy: -65.771083
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -10.170
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: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -114.212455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.212455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.212455 (E_RNA)
where:
Base-Base interactions energy: -58.901
where: short stacking energy: -47.501
Base-Backbone interact. energy: -0.324
local terms energy: -54.988215
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -87.439365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.439365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.439365 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -33.842
Base-Backbone interact. energy: -0.017
local terms energy: -53.580620
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -85.926546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.926546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.926546 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -19.576
Base-Backbone interact. energy: -0.099
local terms energy: -48.651925
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -89.289892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.289892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.289892 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.754
local terms energy: -47.859377
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.002
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: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.097302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.097302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.097302 (E_RNA)
where:
Base-Base interactions energy: -22.912
where: short stacking energy: -19.367
Base-Backbone interact. energy: -0.123
local terms energy: -54.061997
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -2.449
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -236.578144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.578144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.578144 (E_RNA)
where:
Base-Base interactions energy: -168.834
where: short stacking energy: -60.665
Base-Backbone interact. energy: -1.811
local terms energy: -65.933659
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -202.269195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.269195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.269195 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.105
local terms energy: -72.899292
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.078
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: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -207.004673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.004673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.004673 (E_RNA)
where:
Base-Base interactions energy: -138.547
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.181
local terms energy: -68.276093
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -183.396229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.396229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.396229 (E_RNA)
where:
Base-Base interactions energy: -113.614
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.308
local terms energy: -69.474334
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -168.602169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.602169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.602169 (E_RNA)
where:
Base-Base interactions energy: -107.129
where: short stacking energy: -51.353
Base-Backbone interact. energy: -0.382
local terms energy: -61.091256
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -101.568314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568314 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.171
local terms energy: -57.852248
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -107.573988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.573988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.573988 (E_RNA)
where:
Base-Base interactions energy: -55.540
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.171
local terms energy: -51.862410
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -116.883556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.883556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.883556 (E_RNA)
where:
Base-Base interactions energy: -72.296
where: short stacking energy: -38.939
Base-Backbone interact. energy: -2.261
local terms energy: -42.326487
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.882190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882190 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -38.459
Base-Backbone interact. energy: -0.316
local terms energy: -42.107176
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -71.799314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.799314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.799314 (E_RNA)
where:
Base-Base interactions energy: -19.993
where: short stacking energy: -9.420
Base-Backbone interact. energy: -0.427
local terms energy: -51.379491
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -242.013006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.013006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.013006 (E_RNA)
where:
Base-Base interactions energy: -170.932
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.603
local terms energy: -70.478072
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -217.512766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512766 (E_RNA)
where:
Base-Base interactions energy: -142.601
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.024
local terms energy: -74.887590
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -17.948
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -204.899147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.899147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.899147 (E_RNA)
where:
Base-Base interactions energy: -131.043
where: short stacking energy: -61.501
Base-Backbone interact. energy: -0.227
local terms energy: -73.628444
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.395
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: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -164.201937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.201937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.201937 (E_RNA)
where:
Base-Base interactions energy: -105.858
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.040
local terms energy: -58.304166
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -181.228779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.228779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.228779 (E_RNA)
where:
Base-Base interactions energy: -111.455
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.041
local terms energy: -69.733400
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -94.329551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.329551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.329551 (E_RNA)
where:
Base-Base interactions energy: -41.532
where: short stacking energy: -41.532
Base-Backbone interact. energy: -0.154
local terms energy: -52.643631
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -91.568245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.568245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.568245 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.560
local terms energy: -53.374713
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -124.565818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.565818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.565818 (E_RNA)
where:
Base-Base interactions energy: -75.506
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.257
local terms energy: -48.802889
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -82.746768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746768 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -26.736
Base-Backbone interact. energy: -1.190
local terms energy: -45.390273
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -87.838023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.838023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.838023 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.086
local terms energy: -57.139190
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -214.857794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.857794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.857794 (E_RNA)
where:
Base-Base interactions energy: -141.911
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.021
local terms energy: -72.926030
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -233.488247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.488247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.488247 (E_RNA)
where:
Base-Base interactions energy: -166.982
where: short stacking energy: -57.151
Base-Backbone interact. energy: 0.826
local terms energy: -67.331564
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -196.102756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.102756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.102756 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.100
local terms energy: -66.673994
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -174.189266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189266 (E_RNA)
where:
Base-Base interactions energy: -104.195
where: short stacking energy: -64.262
Base-Backbone interact. energy: -0.047
local terms energy: -69.947131
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.993
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -168.272607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.272607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.272607 (E_RNA)
where:
Base-Base interactions energy: -101.243
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.890
local terms energy: -66.139701
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.549
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: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -100.440870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440870 (E_RNA)
where:
Base-Base interactions energy: -42.645
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.022
local terms energy: -57.774194
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.633
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: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -156.286604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.286604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.286604 (E_RNA)
where:
Base-Base interactions energy: -97.041
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.597
local terms energy: -58.648319
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -106.306943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.306943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.306943 (E_RNA)
where:
Base-Base interactions energy: -57.011
where: short stacking energy: -43.082
Base-Backbone interact. energy: -0.490
local terms energy: -48.806329
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -7.460
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: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -84.390169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390169 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -29.552
Base-Backbone interact. energy: -0.090
local terms energy: -53.672432
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -109.880511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.880511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.880511 (E_RNA)
where:
Base-Base interactions energy: -54.315
where: short stacking energy: -35.183
Base-Backbone interact. energy: -0.003
local terms energy: -55.562742
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -206.769441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.769441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.769441 (E_RNA)
where:
Base-Base interactions energy: -132.112
where: short stacking energy: -62.428
Base-Backbone interact. energy: -0.103
local terms energy: -74.554337
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -231.180485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.180485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.180485 (E_RNA)
where:
Base-Base interactions energy: -160.896
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.078
local terms energy: -70.206029
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -198.196169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.196169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.196169 (E_RNA)
where:
Base-Base interactions energy: -127.869
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.009
local terms energy: -70.318550
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -17.546
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -176.575733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.575733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.575733 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.603
local terms energy: -66.882925
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -161.883051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.883051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.883051 (E_RNA)
where:
Base-Base interactions energy: -102.420
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.466
local terms energy: -58.997160
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -158.388530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.388530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.388530 (E_RNA)
where:
Base-Base interactions energy: -97.423
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.333
local terms energy: -60.632117
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -9.440
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -96.284340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.284340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.284340 (E_RNA)
where:
Base-Base interactions energy: -51.168
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.139
local terms energy: -44.976977
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -8.132
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -95.939524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.939524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.939524 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.603
local terms energy: -54.147869
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.628
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: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -89.998478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.998478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.998478 (E_RNA)
where:
Base-Base interactions energy: -39.511
where: short stacking energy: -29.622
Base-Backbone interact. energy: -0.389
local terms energy: -50.099184
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -74.064812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.064812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.064812 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -19.432
Base-Backbone interact. energy: -0.255
local terms energy: -39.131315
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -5.091
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -238.746351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.746351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.746351 (E_RNA)
where:
Base-Base interactions energy: -166.903
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.209
local terms energy: -71.633427
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.266
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: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -208.142925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.142925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.142925 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.628
local terms energy: -67.820199
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -189.069655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.069655 (E_RNA)
where:
Base-Base interactions energy: -113.025
where: short stacking energy: -67.598
Base-Backbone interact. energy: -0.003
local terms energy: -76.042102
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -200.367411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.367411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.367411 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.114
local terms energy: -62.729526
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -171.260613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.260613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.260613 (E_RNA)
where:
Base-Base interactions energy: -109.206
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.008
local terms energy: -62.046353
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -13.201
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: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -164.868490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.868490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.868490 (E_RNA)
where:
Base-Base interactions energy: -97.789
where: short stacking energy: -52.002
Base-Backbone interact. energy: -0.131
local terms energy: -66.948252
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -96.477029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.477029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.477029 (E_RNA)
where:
Base-Base interactions energy: -38.604
where: short stacking energy: -33.950
Base-Backbone interact. energy: -0.731
local terms energy: -57.141687
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.632
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -95.411273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.411273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.411273 (E_RNA)
where:
Base-Base interactions energy: -47.008
where: short stacking energy: -28.402
Base-Backbone interact. energy: -0.361
local terms energy: -48.043266
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -84.585581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.585581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.585581 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -20.753
Base-Backbone interact. energy: -0.845
local terms energy: -45.894452
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -125.520826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.520826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.520826 (E_RNA)
where:
Base-Base interactions energy: -73.398
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.154
local terms energy: -51.968098
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -238.035154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.035154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.035154 (E_RNA)
where:
Base-Base interactions energy: -167.823
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.200
local terms energy: -70.011904
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -210.354189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.354189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.354189 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -80.127
Base-Backbone interact. energy: -0.000
local terms energy: -78.395265
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -206.543916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.543916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.543916 (E_RNA)
where:
Base-Base interactions energy: -138.803
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.173
local terms energy: -67.568721
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -198.354468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.354468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.354468 (E_RNA)
where:
Base-Base interactions energy: -130.881
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.029
local terms energy: -67.444337
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -18.813
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -162.780487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.780487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.780487 (E_RNA)
where:
Base-Base interactions energy: -102.846
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.220
local terms energy: -59.713605
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -5.610
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: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -161.523407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.523407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.523407 (E_RNA)
where:
Base-Base interactions energy: -99.854
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.146
local terms energy: -61.524030
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -93.589817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589817 (E_RNA)
where:
Base-Base interactions energy: -33.934
where: short stacking energy: -33.934
Base-Backbone interact. energy: -0.127
local terms energy: -59.528109
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -108.415065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.415065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.415065 (E_RNA)
where:
Base-Base interactions energy: -55.396
where: short stacking energy: -24.352
Base-Backbone interact. energy: -0.082
local terms energy: -52.937141
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -85.801890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801890 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.120
local terms energy: -50.831037
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -6.814
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: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -77.912529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912529 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.043
local terms energy: -40.281599
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: 3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -242.096467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.096467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.096467 (E_RNA)
where:
Base-Base interactions energy: -163.003
where: short stacking energy: -78.401
Base-Backbone interact. energy: -0.740
local terms energy: -78.353523
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -192.031571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.031571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.031571 (E_RNA)
where:
Base-Base interactions energy: -117.416
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.007
local terms energy: -74.609022
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -201.806419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.806419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.806419 (E_RNA)
where:
Base-Base interactions energy: -123.557
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.148
local terms energy: -78.101635
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -190.099222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.099222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.099222 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.056
local terms energy: -60.714645
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -170.079571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.079571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.079571 (E_RNA)
where:
Base-Base interactions energy: -108.401
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.047
local terms energy: -61.631353
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.298
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: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -152.218035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.218035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.218035 (E_RNA)
where:
Base-Base interactions energy: -88.790
where: short stacking energy: -40.363
Base-Backbone interact. energy: -0.063
local terms energy: -63.365392
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -133.266020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.266020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.266020 (E_RNA)
where:
Base-Base interactions energy: -72.950
where: short stacking energy: -46.484
Base-Backbone interact. energy: -1.193
local terms energy: -59.123029
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -4.314
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: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -78.094112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094112 (E_RNA)
where:
Base-Base interactions energy: -26.227
where: short stacking energy: -24.637
Base-Backbone interact. energy: -0.615
local terms energy: -51.252873
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -101.691411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.691411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.691411 (E_RNA)
where:
Base-Base interactions energy: -51.488
where: short stacking energy: -28.191
Base-Backbone interact. energy: 0.237
local terms energy: -50.439837
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -2.178
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -98.109176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.109176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.109176 (E_RNA)
where:
Base-Base interactions energy: -55.437
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.250
local terms energy: -42.422280
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -232.832451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.832451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.832451 (E_RNA)
where:
Base-Base interactions energy: -168.670
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.240
local terms energy: -63.922576
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.214
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -211.299314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.299314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.299314 (E_RNA)
where:
Base-Base interactions energy: -141.745
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.980
local terms energy: -68.574548
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.769
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -198.128467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.128467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128467 (E_RNA)
where:
Base-Base interactions energy: -121.571
where: short stacking energy: -76.121
Base-Backbone interact. energy: -0.023
local terms energy: -76.534752
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -164.358763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.358763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.358763 (E_RNA)
where:
Base-Base interactions energy: -103.538
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.066
local terms energy: -60.755238
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -193.661731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.661731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.661731 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.423
local terms energy: -57.010706
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -142.331290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.331290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.331290 (E_RNA)
where:
Base-Base interactions energy: -88.223
where: short stacking energy: -52.833
Base-Backbone interact. energy: -0.311
local terms energy: -53.796597
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -163.588742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.588742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.588742 (E_RNA)
where:
Base-Base interactions energy: -101.424
where: short stacking energy: -55.248
Base-Backbone interact. energy: -0.130
local terms energy: -62.034857
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -8.948
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: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -140.994189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.994189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.994189 (E_RNA)
where:
Base-Base interactions energy: -85.487
where: short stacking energy: -39.310
Base-Backbone interact. energy: -1.158
local terms energy: -54.349802
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -3.791
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: 35
Temperature: 1.300000
Total energy: -85.001834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001834 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -30.251
Base-Backbone interact. energy: -0.209
local terms energy: -54.542187
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.657456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.657456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.657456 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.177
local terms energy: -42.163139
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -218.843035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843035 (E_RNA)
where:
Base-Base interactions energy: -144.437
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.104
local terms energy: -74.301851
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -8.091
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -224.948420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.948420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948420 (E_RNA)
where:
Base-Base interactions energy: -155.781
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.178
local terms energy: -68.990028
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -185.208743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.208743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208743 (E_RNA)
where:
Base-Base interactions energy: -117.682
where: short stacking energy: -66.126
Base-Backbone interact. energy: -0.025
local terms energy: -67.501697
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -168.493621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493621 (E_RNA)
where:
Base-Base interactions energy: -111.137
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.170
local terms energy: -57.187042
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -7.355
flat angles P-C4'-P energy: -9.413
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -189.416992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.416992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.416992 (E_RNA)
where:
Base-Base interactions energy: -122.253
where: short stacking energy: -54.180
Base-Backbone interact. energy: -1.113
local terms energy: -66.050585
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -164.864064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.864064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.864064 (E_RNA)
where:
Base-Base interactions energy: -105.323
where: short stacking energy: -51.597
Base-Backbone interact. energy: -1.148
local terms energy: -58.393182
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -149.286631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.286631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.286631 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.021
local terms energy: -56.199232
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -93.749513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.749513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.749513 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -40.384
Base-Backbone interact. energy: -0.060
local terms energy: -49.691328
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -5.500
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -90.547366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547366 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -25.531
Base-Backbone interact. energy: -0.144
local terms energy: -50.078727
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -8.266
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: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -70.018360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.018360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.018360 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -19.411
Base-Backbone interact. energy: 2.270
local terms energy: -36.990309
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: 2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -215.481005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.481005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.481005 (E_RNA)
where:
Base-Base interactions energy: -144.877
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.726
local terms energy: -69.877059
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -236.548097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.548097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.548097 (E_RNA)
where:
Base-Base interactions energy: -169.938
where: short stacking energy: -69.790
Base-Backbone interact. energy: 0.360
local terms energy: -66.969797
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -192.880588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.880588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.880588 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.431
local terms energy: -77.938547
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -9.301
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -196.546298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.546298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.546298 (E_RNA)
where:
Base-Base interactions energy: -126.420
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.056
local terms energy: -70.070434
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -163.417540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.417540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.417540 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.187
local terms energy: -64.647654
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -9.489
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: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -138.465521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.465521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.465521 (E_RNA)
where:
Base-Base interactions energy: -84.625
where: short stacking energy: -47.882
Base-Backbone interact. energy: -0.371
local terms energy: -53.468954
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -153.018996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.018996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.018996 (E_RNA)
where:
Base-Base interactions energy: -95.221
where: short stacking energy: -46.620
Base-Backbone interact. energy: -0.105
local terms energy: -57.692804
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -96.461249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.461249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.461249 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.672
local terms energy: -48.522818
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -1.109
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: 37
Temperature: 1.300000
Total energy: -86.792585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792585 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.307
local terms energy: -41.103995
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -5.268
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: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -77.814142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814142 (E_RNA)
where:
Base-Base interactions energy: -25.606
where: short stacking energy: -20.266
Base-Backbone interact. energy: -0.084
local terms energy: -52.123496
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -5.849
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: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -232.139383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.139383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.139383 (E_RNA)
where:
Base-Base interactions energy: -157.573
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.364
local terms energy: -74.202899
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -14.876
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -209.364541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.364541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.364541 (E_RNA)
where:
Base-Base interactions energy: -137.863
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.012
local terms energy: -71.489689
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -211.330623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.330623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.330623 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -53.992
Base-Backbone interact. energy: 1.135
local terms energy: -76.171822
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -163.560874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.560874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.560874 (E_RNA)
where:
Base-Base interactions energy: -98.806
where: short stacking energy: -50.052
Base-Backbone interact. energy: -0.240
local terms energy: -64.515644
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -138.228952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.228952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.228952 (E_RNA)
where:
Base-Base interactions energy: -74.301
where: short stacking energy: -45.241
Base-Backbone interact. energy: 0.178
local terms energy: -64.106469
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.202
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: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -168.057046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.057046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.057046 (E_RNA)
where:
Base-Base interactions energy: -106.628
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.113
local terms energy: -61.316603
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -150.526004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.526004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.526004 (E_RNA)
where:
Base-Base interactions energy: -94.238
where: short stacking energy: -39.898
Base-Backbone interact. energy: -0.122
local terms energy: -56.165133
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -6.118
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: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -110.853286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.853286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.853286 (E_RNA)
where:
Base-Base interactions energy: -60.769
where: short stacking energy: -30.292
Base-Backbone interact. energy: -0.057
local terms energy: -50.027393
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -87.977116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977116 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -24.873
Base-Backbone interact. energy: 3.232
local terms energy: -46.111058
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -100.244608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.244608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.244608 (E_RNA)
where:
Base-Base interactions energy: -55.180
where: short stacking energy: -28.505
Base-Backbone interact. energy: 0.455
local terms energy: -45.519658
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -235.572380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.572380 (E_RNA)
where:
Base-Base interactions energy: -165.454
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.313
local terms energy: -69.805194
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.532
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -214.211702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.211702 (E_RNA)
where:
Base-Base interactions energy: -137.940
where: short stacking energy: -71.861
Base-Backbone interact. energy: -0.072
local terms energy: -76.199427
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -9.235
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: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -196.175102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.175102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.175102 (E_RNA)
where:
Base-Base interactions energy: -125.283
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.075
local terms energy: -70.817314
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -161.627096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.627096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.627096 (E_RNA)
where:
Base-Base interactions energy: -97.785
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.425
local terms energy: -63.416570
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -152.915343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.915343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.915343 (E_RNA)
where:
Base-Base interactions energy: -92.724
where: short stacking energy: -53.227
Base-Backbone interact. energy: -1.426
local terms energy: -58.765451
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -7.168
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: 39
Temperature: 1.150000
Total energy: -166.337684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.337684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.337684 (E_RNA)
where:
Base-Base interactions energy: -102.580
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.067
local terms energy: -63.690350
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -168.013995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.013995 (E_RNA)
where:
Base-Base interactions energy: -103.563
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.156
local terms energy: -64.294316
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -87.377114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377114 (E_RNA)
where:
Base-Base interactions energy: -42.686
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.084
local terms energy: -44.606452
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -78.268347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268347 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.062
local terms energy: -49.162252
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -0.248
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -105.197639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.197639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.197639 (E_RNA)
where:
Base-Base interactions energy: -53.733
where: short stacking energy: -38.545
Base-Backbone interact. energy: 0.638
local terms energy: -52.102256
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.392
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: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -240.669021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.669021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.669021 (E_RNA)
where:
Base-Base interactions energy: -170.661
where: short stacking energy: -75.452
Base-Backbone interact. energy: -0.287
local terms energy: -69.720730
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -220.139376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139376 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.005
local terms energy: -79.849270
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -201.755292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.755292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.755292 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.104
local terms energy: -69.215890
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -157.827826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827826 (E_RNA)
where:
Base-Base interactions energy: -93.254
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.543
local terms energy: -64.030551
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -153.828865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.828865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.828865 (E_RNA)
where:
Base-Base interactions energy: -94.923
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.917
local terms energy: -57.989198
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -153.771005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.771005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.771005 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.662
local terms energy: -61.003174
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.066
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: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -115.906988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.906988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.906988 (E_RNA)
where:
Base-Base interactions energy: -59.829
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.056
local terms energy: -56.021633
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -152.690502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.690502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.690502 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -46.938
Base-Backbone interact. energy: -0.107
local terms energy: -58.196094
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.787
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: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -85.194800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194800 (E_RNA)
where:
Base-Base interactions energy: -32.755
where: short stacking energy: -32.755
Base-Backbone interact. energy: 0.016
local terms energy: -52.455422
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -7.300
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -7.696
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: 40
Temperature: 1.350000
Total energy: -80.164753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.164753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.164753 (E_RNA)
where:
Base-Base interactions energy: -37.417
where: short stacking energy: -21.508
Base-Backbone interact. energy: -0.517
local terms energy: -42.230635
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -241.523085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.523085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523085 (E_RNA)
where:
Base-Base interactions energy: -169.097
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.193
local terms energy: -72.233218
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -203.462289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.462289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.462289 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.645
local terms energy: -65.254097
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -208.794204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.794204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.794204 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.000
local terms energy: -72.801529
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -182.619434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.619434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.619434 (E_RNA)
where:
Base-Base interactions energy: -109.947
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.655
local terms energy: -72.017319
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -178.708288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.708288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.708288 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.164
local terms energy: -69.820221
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -99.912625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.912625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.912625 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -45.150
Base-Backbone interact. energy: -0.004
local terms energy: -54.143038
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -8.258
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: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -101.922341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.922341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.922341 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -25.814
Base-Backbone interact. energy: -1.522
local terms energy: -55.085022
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -2.970
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: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -158.383467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.383467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.383467 (E_RNA)
where:
Base-Base interactions energy: -96.721
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.378
local terms energy: -61.284425
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.578
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -87.406691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.406691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.406691 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.421
local terms energy: -49.802228
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -115.992984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.992984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.992984 (E_RNA)
where:
Base-Base interactions energy: -49.828
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.209
local terms energy: -65.956135
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -230.107697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107697 (E_RNA)
where:
Base-Base interactions energy: -160.244
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.184
local terms energy: -69.679615
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -204.529508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.529508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529508 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.001
local terms energy: -72.455265
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -13.909
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: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -207.748595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.748595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.748595 (E_RNA)
where:
Base-Base interactions energy: -135.523
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.077
local terms energy: -72.148937
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -183.456833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.456833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.456833 (E_RNA)
where:
Base-Base interactions energy: -116.382
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.177
local terms energy: -66.898340
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.746
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: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -172.458804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.458804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.458804 (E_RNA)
where:
Base-Base interactions energy: -107.020
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.002
local terms energy: -65.436354
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -97.894583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.894583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.894583 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -35.295
Base-Backbone interact. energy: -0.019
local terms energy: -58.733665
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -163.075520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.075520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.075520 (E_RNA)
where:
Base-Base interactions energy: -97.407
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.429
local terms energy: -65.239124
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -99.959423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.959423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.959423 (E_RNA)
where:
Base-Base interactions energy: -46.974
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.069
local terms energy: -52.917075
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -6.437
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: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -80.553222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.553222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.553222 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -25.034
Base-Backbone interact. energy: -0.053
local terms energy: -42.913092
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -2.972
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -77.041911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.041911 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.490
local terms energy: -41.237424
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -7.931
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: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -233.307832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.307832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.307832 (E_RNA)
where:
Base-Base interactions energy: -158.637
where: short stacking energy: -70.805
Base-Backbone interact. energy: -1.041
local terms energy: -73.629272
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -214.001650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001650 (E_RNA)
where:
Base-Base interactions energy: -149.415
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.004
local terms energy: -64.582323
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.187
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: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -197.157984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.157984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.157984 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.101
local terms energy: -69.546182
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -13.704
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: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -189.813153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.813153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.813153 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.030
local terms energy: -66.358519
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -140.363321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.363321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.363321 (E_RNA)
where:
Base-Base interactions energy: -87.765
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.077
local terms energy: -52.521303
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -6.072
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -164.291113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.291113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.291113 (E_RNA)
where:
Base-Base interactions energy: -100.970
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.145
local terms energy: -63.176252
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -96.970547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970547 (E_RNA)
where:
Base-Base interactions energy: -43.661
where: short stacking energy: -33.910
Base-Backbone interact. energy: -0.572
local terms energy: -52.738104
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -82.680793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.680793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.680793 (E_RNA)
where:
Base-Base interactions energy: -42.712
where: short stacking energy: -22.256
Base-Backbone interact. energy: 0.078
local terms energy: -40.046826
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: 4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -82.320567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.320567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.320567 (E_RNA)
where:
Base-Base interactions energy: -40.111
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.194
local terms energy: -42.015407
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -3.710
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: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -85.346805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346805 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -31.873
Base-Backbone interact. energy: -0.217
local terms energy: -46.465781
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -238.462255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.462255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.462255 (E_RNA)
where:
Base-Base interactions energy: -167.069
where: short stacking energy: -73.300
Base-Backbone interact. energy: 0.508
local terms energy: -71.901677
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -199.813010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.813010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.813010 (E_RNA)
where:
Base-Base interactions energy: -131.872
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.153
local terms energy: -67.787768
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -180.432751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.432751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.432751 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.353
local terms energy: -65.315826
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -200.457002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.457002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.457002 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.079
local terms energy: -66.353577
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -180.470609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.470609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.470609 (E_RNA)
where:
Base-Base interactions energy: -112.505
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.302
local terms energy: -67.663660
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -148.607002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.607002 (E_RNA)
where:
Base-Base interactions energy: -88.311
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.799
local terms energy: -59.497332
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -91.172594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172594 (E_RNA)
where:
Base-Base interactions energy: -35.137
where: short stacking energy: -34.935
Base-Backbone interact. energy: 0.553
local terms energy: -56.588666
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.240
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: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -98.725938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.725938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.725938 (E_RNA)
where:
Base-Base interactions energy: -55.779
where: short stacking energy: -34.994
Base-Backbone interact. energy: -0.800
local terms energy: -42.146133
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -84.024791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024791 (E_RNA)
where:
Base-Base interactions energy: -44.853
where: short stacking energy: -21.549
Base-Backbone interact. energy: -0.245
local terms energy: -38.927212
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.870435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.870435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.870435 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.130
local terms energy: -52.804260
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -235.274874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.274874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.274874 (E_RNA)
where:
Base-Base interactions energy: -162.468
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.062
local terms energy: -72.745130
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.231
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -187.173213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.173213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.173213 (E_RNA)
where:
Base-Base interactions energy: -111.205
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.196
local terms energy: -75.772398
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.215
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: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -203.390306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.390306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.390306 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.953
local terms energy: -71.359387
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -192.574278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.574278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.574278 (E_RNA)
where:
Base-Base interactions energy: -117.792
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.014
local terms energy: -74.768431
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -163.406081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.406081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.406081 (E_RNA)
where:
Base-Base interactions energy: -105.146
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.792
local terms energy: -57.468697
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.833
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: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -140.991807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.991807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.991807 (E_RNA)
where:
Base-Base interactions energy: -80.524
where: short stacking energy: -42.121
Base-Backbone interact. energy: -0.659
local terms energy: -59.809401
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -9.158
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -104.871940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.871940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.871940 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -42.184
Base-Backbone interact. energy: -0.118
local terms energy: -55.156141
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -90.000323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.000323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.000323 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -25.527
Base-Backbone interact. energy: -0.035
local terms energy: -62.331325
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -87.365620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365620 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -35.988
Base-Backbone interact. energy: -0.345
local terms energy: -50.548023
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -7.610
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: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -96.316629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316629 (E_RNA)
where:
Base-Base interactions energy: -40.994
where: short stacking energy: -37.422
Base-Backbone interact. energy: -0.232
local terms energy: -55.090384
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -245.747428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.747428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.747428 (E_RNA)
where:
Base-Base interactions energy: -171.674
where: short stacking energy: -69.388
Base-Backbone interact. energy: 1.010
local terms energy: -75.084014
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -206.073024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.073024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.073024 (E_RNA)
where:
Base-Base interactions energy: -128.537
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.194
local terms energy: -77.341712
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -208.074248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.074248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.074248 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -66.311
Base-Backbone interact. energy: -0.034
local terms energy: -72.710566
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.642
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: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -208.166314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.166314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.166314 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.014
local terms energy: -71.859130
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -161.905757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.905757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.905757 (E_RNA)
where:
Base-Base interactions energy: -96.063
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.117
local terms energy: -65.726380
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -9.780
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -164.891526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.891526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.891526 (E_RNA)
where:
Base-Base interactions energy: -108.022
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.224
local terms energy: -56.645538
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -93.352470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352470 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -35.481
Base-Backbone interact. energy: 0.386
local terms energy: -51.419209
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -92.170869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.170869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.170869 (E_RNA)
where:
Base-Base interactions energy: -34.521
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.229
local terms energy: -57.420626
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -78.958033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.958033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.958033 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.096
local terms energy: -46.576040
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: 0.225
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: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -82.489592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.489592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.489592 (E_RNA)
where:
Base-Base interactions energy: -38.346
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.239
local terms energy: -43.904143
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -236.050418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.050418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.050418 (E_RNA)
where:
Base-Base interactions energy: -158.999
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.222
local terms energy: -76.829972
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -207.905473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.905473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.905473 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.004
local terms energy: -78.350066
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -11.086
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: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -180.192684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.192684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.192684 (E_RNA)
where:
Base-Base interactions energy: -111.731
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.154
local terms energy: -68.307924
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -205.035104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.035104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.035104 (E_RNA)
where:
Base-Base interactions energy: -136.852
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.009
local terms energy: -68.174064
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -139.498664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.498664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.498664 (E_RNA)
where:
Base-Base interactions energy: -75.788
where: short stacking energy: -44.122
Base-Backbone interact. energy: 0.442
local terms energy: -64.152374
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -10.643
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -145.256474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.256474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.256474 (E_RNA)
where:
Base-Base interactions energy: -87.933
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.026
local terms energy: -57.296724
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -6.855
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -88.759341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.759341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.759341 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.218
local terms energy: -56.213831
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -89.835502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.835502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.835502 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -37.424
Base-Backbone interact. energy: -0.547
local terms energy: -51.864495
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.362744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.362744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.362744 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -35.091
Base-Backbone interact. energy: -1.081
local terms energy: -50.416738
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -4.558
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -82.009568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.009568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.009568 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.251
local terms energy: -41.497301
where:
bonds (distance) C4'-P energy: -5.553
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -3.157
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -224.758728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.758728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.758728 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.198
local terms energy: -62.744638
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.198
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: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -216.741989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.741989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.741989 (E_RNA)
where:
Base-Base interactions energy: -138.169
where: short stacking energy: -72.440
Base-Backbone interact. energy: -0.092
local terms energy: -78.481785
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -216.358352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.358352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358352 (E_RNA)
where:
Base-Base interactions energy: -135.535
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.539
local terms energy: -80.284769
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -181.678351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.678351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.678351 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.282
local terms energy: -76.506800
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -16.583
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -173.664676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.664676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.664676 (E_RNA)
where:
Base-Base interactions energy: -103.655
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.001
local terms energy: -70.008399
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -131.550934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.550934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.550934 (E_RNA)
where:
Base-Base interactions energy: -78.606
where: short stacking energy: -40.850
Base-Backbone interact. energy: -0.137
local terms energy: -52.807819
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -80.166160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166160 (E_RNA)
where:
Base-Base interactions energy: -30.548
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.008
local terms energy: -49.610080
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.624
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -137.611999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.611999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.611999 (E_RNA)
where:
Base-Base interactions energy: -83.021
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.492
local terms energy: -54.098343
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -1.744
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: 48
Temperature: 1.300000
Total energy: -82.544931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.544931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.544931 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -32.176
Base-Backbone interact. energy: 1.980
local terms energy: -52.280950
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.261444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.261444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.261444 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -27.396
Base-Backbone interact. energy: -0.199
local terms energy: -50.163550
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -229.855732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.855732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.855732 (E_RNA)
where:
Base-Base interactions energy: -157.305
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.592
local terms energy: -71.959125
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -12.689
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: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -202.417099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.417099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.417099 (E_RNA)
where:
Base-Base interactions energy: -127.351
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.057
local terms energy: -75.009916
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.685
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: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -204.014541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.014541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.014541 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.013
local terms energy: -68.354354
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -173.432972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432972 (E_RNA)
where:
Base-Base interactions energy: -117.136
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.115
local terms energy: -56.182028
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -8.825
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: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -180.503218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.503218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.503218 (E_RNA)
where:
Base-Base interactions energy: -103.106
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.001
local terms energy: -77.395902
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -142.325047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.325047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.325047 (E_RNA)
where:
Base-Base interactions energy: -80.025
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.149
local terms energy: -62.150611
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -9.614
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: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -98.964845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964845 (E_RNA)
where:
Base-Base interactions energy: -45.068
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.118
local terms energy: -53.778505
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -1.182
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -124.151120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.151120 (E_RNA)
where:
Base-Base interactions energy: -66.119
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.467
local terms energy: -57.564845
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -7.913
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: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -82.710376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.710376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.710376 (E_RNA)
where:
Base-Base interactions energy: -35.130
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.279
local terms energy: -47.301012
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -77.640138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.640138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.640138 (E_RNA)
where:
Base-Base interactions energy: -27.392
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.296
local terms energy: -49.952690
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -231.130536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.130536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.130536 (E_RNA)
where:
Base-Base interactions energy: -158.638
where: short stacking energy: -63.347
Base-Backbone interact. energy: -0.532
local terms energy: -71.960634
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.699
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: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -208.249105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.249105 (E_RNA)
where:
Base-Base interactions energy: -135.630
where: short stacking energy: -66.601
Base-Backbone interact. energy: 0.345
local terms energy: -72.964754
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -190.316856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.316856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.316856 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -59.667
Base-Backbone interact. energy: -1.181
local terms energy: -70.554341
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -194.458398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.458398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.458398 (E_RNA)
where:
Base-Base interactions energy: -125.346
where: short stacking energy: -55.951
Base-Backbone interact. energy: -0.035
local terms energy: -69.077139
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -15.919
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: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -149.141838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.141838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.141838 (E_RNA)
where:
Base-Base interactions energy: -90.663
where: short stacking energy: -47.777
Base-Backbone interact. energy: -0.103
local terms energy: -58.376349
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -9.461
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: 50
Temperature: 1.150000
Total energy: -142.279362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.279362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.279362 (E_RNA)
where:
Base-Base interactions energy: -83.363
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.629
local terms energy: -58.287152
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -11.088
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: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -133.962254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.962254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.962254 (E_RNA)
where:
Base-Base interactions energy: -73.496
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.631
local terms energy: -59.834719
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.812
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: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -80.169158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169158 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.315
local terms energy: -50.489564
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -2.279
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -87.850986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850986 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -20.071
Base-Backbone interact. energy: -0.096
local terms energy: -52.174223
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -79.830646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.830646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.830646 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -32.983
Base-Backbone interact. energy: -0.086
local terms energy: -43.308825
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -236.116541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.116541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.116541 (E_RNA)
where:
Base-Base interactions energy: -164.815
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.199
local terms energy: -71.102834
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -211.846554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846554 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.004
local terms energy: -75.525527
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -169.765263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.765263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.765263 (E_RNA)
where:
Base-Base interactions energy: -102.518
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.382
local terms energy: -66.865003
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -191.735532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.735532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.735532 (E_RNA)
where:
Base-Base interactions energy: -126.014
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.100
local terms energy: -65.621804
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -143.967303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.967303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.967303 (E_RNA)
where:
Base-Base interactions energy: -85.257
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.038
local terms energy: -58.671664
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -7.196
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: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -135.594267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.594267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.594267 (E_RNA)
where:
Base-Base interactions energy: -68.189
where: short stacking energy: -45.068
Base-Backbone interact. energy: -0.156
local terms energy: -67.249420
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -8.557
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: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -131.466520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.466520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.466520 (E_RNA)
where:
Base-Base interactions energy: -68.298
where: short stacking energy: -29.662
Base-Backbone interact. energy: -1.523
local terms energy: -61.645473
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -4.743
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: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -92.310420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.310420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.310420 (E_RNA)
where:
Base-Base interactions energy: -38.003
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.151
local terms energy: -54.156549
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -84.638949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.638949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.638949 (E_RNA)
where:
Base-Base interactions energy: -29.932
where: short stacking energy: -27.420
Base-Backbone interact. energy: -0.357
local terms energy: -54.349564
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -7.843
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: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -73.862637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.862637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.862637 (E_RNA)
where:
Base-Base interactions energy: -29.319
where: short stacking energy: -28.704
Base-Backbone interact. energy: -0.011
local terms energy: -44.532406
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -229.941408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.941408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.941408 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -68.758
Base-Backbone interact. energy: -0.219
local terms energy: -72.032672
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -212.340677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340677 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.013
local terms energy: -74.815577
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -191.186900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186900 (E_RNA)
where:
Base-Base interactions energy: -119.996
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.051
local terms energy: -71.139595
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -181.825639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.825639 (E_RNA)
where:
Base-Base interactions energy: -110.211
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.101
local terms energy: -71.514341
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -159.130947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.130947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.130947 (E_RNA)
where:
Base-Base interactions energy: -96.772
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.135
local terms energy: -62.224809
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -7.353
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -93.419959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.419959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.419959 (E_RNA)
where:
Base-Base interactions energy: -37.537
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.104
local terms energy: -55.779173
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.777
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: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -88.458358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.458358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.458358 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.522
local terms energy: -47.007933
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -8.602
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -133.707773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.707773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.707773 (E_RNA)
where:
Base-Base interactions energy: -79.253
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.072
local terms energy: -54.382749
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -78.585881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585881 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.042
local terms energy: -40.421277
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -72.558498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558498 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.136
local terms energy: -47.650206
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -227.424273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.424273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.424273 (E_RNA)
where:
Base-Base interactions energy: -157.287
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.762
local terms energy: -69.375473
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -212.333168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.333168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.333168 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.017
local terms energy: -74.303470
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.190
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -207.961069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.961069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.961069 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.038
local terms energy: -73.317488
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -178.702316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702316 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.005
local terms energy: -67.020184
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.435
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -135.688840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.688840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.688840 (E_RNA)
where:
Base-Base interactions energy: -76.527
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.155
local terms energy: -59.007097
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -8.109
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: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -103.007971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.007971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.007971 (E_RNA)
where:
Base-Base interactions energy: -44.583
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.330
local terms energy: -58.095453
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -8.544
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -94.541175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.541175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.541175 (E_RNA)
where:
Base-Base interactions energy: -41.104
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.686
local terms energy: -52.751167
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -134.234196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.234196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.234196 (E_RNA)
where:
Base-Base interactions energy: -69.821
where: short stacking energy: -38.237
Base-Backbone interact. energy: -0.128
local terms energy: -64.284996
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -72.272961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.272961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.272961 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -12.949
Base-Backbone interact. energy: -0.534
local terms energy: -39.950739
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: 5.768
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: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -82.409352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409352 (E_RNA)
where:
Base-Base interactions energy: -32.852
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.128
local terms energy: -49.429148
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -230.112615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112615 (E_RNA)
where:
Base-Base interactions energy: -153.644
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.405
local terms energy: -76.063476
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -16.757
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -209.790599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.790599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.790599 (E_RNA)
where:
Base-Base interactions energy: -137.704
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.535
local terms energy: -71.551774
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -18.090
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: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -212.053175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.053175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.053175 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -67.251
Base-Backbone interact. energy: 1.057
local terms energy: -72.614878
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -186.513877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.513877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.513877 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -62.627
Base-Backbone interact. energy: 0.042
local terms energy: -64.592729
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -156.035850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.035850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.035850 (E_RNA)
where:
Base-Base interactions energy: -88.347
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.632
local terms energy: -67.056324
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -95.281912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.281912 (E_RNA)
where:
Base-Base interactions energy: -47.495
where: short stacking energy: -26.563
Base-Backbone interact. energy: 0.119
local terms energy: -47.906329
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -5.657
flat angles P-C4'-P energy: -7.136
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: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -126.813092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.813092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.813092 (E_RNA)
where:
Base-Base interactions energy: -77.501
where: short stacking energy: -45.313
Base-Backbone interact. energy: -0.886
local terms energy: -48.425687
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -120.707365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.707365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.707365 (E_RNA)
where:
Base-Base interactions energy: -65.923
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.017
local terms energy: -54.767517
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.969
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: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -81.086956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.086956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.086956 (E_RNA)
where:
Base-Base interactions energy: -29.248
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.639
local terms energy: -51.200350
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -4.539
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: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.804009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804009 (E_RNA)
where:
Base-Base interactions energy: -25.886
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.039
local terms energy: -54.879457
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -237.132067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.132067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.132067 (E_RNA)
where:
Base-Base interactions energy: -167.982
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.712
local terms energy: -68.437180
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.532
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -213.911683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911683 (E_RNA)
where:
Base-Base interactions energy: -142.393
where: short stacking energy: -66.741
Base-Backbone interact. energy: 0.280
local terms energy: -71.798639
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -17.378
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: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -210.687193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.687193 (E_RNA)
where:
Base-Base interactions energy: -131.520
where: short stacking energy: -61.058
Base-Backbone interact. energy: 0.483
local terms energy: -79.650540
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -16.464
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: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -181.337614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.337614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.337614 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.005
local terms energy: -69.758767
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.088
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: 55
Temperature: 1.100000
Total energy: -180.320659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.320659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.320659 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.767
local terms energy: -58.664588
where:
bonds (distance) C4'-P energy: -6.639
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -165.411840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.411840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.411840 (E_RNA)
where:
Base-Base interactions energy: -106.623
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.505
local terms energy: -58.283718
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -100.050059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.050059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.050059 (E_RNA)
where:
Base-Base interactions energy: -41.116
where: short stacking energy: -32.951
Base-Backbone interact. energy: -0.106
local terms energy: -58.827854
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -93.670723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.670723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.670723 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.310
local terms energy: -52.360265
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -5.477
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: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -105.412984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.412984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.412984 (E_RNA)
where:
Base-Base interactions energy: -61.886
where: short stacking energy: -33.179
Base-Backbone interact. energy: -0.130
local terms energy: -43.397918
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -77.466543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466543 (E_RNA)
where:
Base-Base interactions energy: -21.066
where: short stacking energy: -19.162
Base-Backbone interact. energy: -0.191
local terms energy: -56.209431
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -235.896094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.896094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.896094 (E_RNA)
where:
Base-Base interactions energy: -163.804
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.500
local terms energy: -71.591881
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.399
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: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -206.556897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.556897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.556897 (E_RNA)
where:
Base-Base interactions energy: -136.005
where: short stacking energy: -65.590
Base-Backbone interact. energy: -0.169
local terms energy: -70.382699
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -8.219
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: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -198.767983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.767983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.767983 (E_RNA)
where:
Base-Base interactions energy: -121.773
where: short stacking energy: -70.924
Base-Backbone interact. energy: -1.447
local terms energy: -75.548020
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -200.605749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.605749 (E_RNA)
where:
Base-Base interactions energy: -135.902
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.140
local terms energy: -64.563633
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -199.090673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090673 (E_RNA)
where:
Base-Base interactions energy: -125.127
where: short stacking energy: -77.307
Base-Backbone interact. energy: -0.783
local terms energy: -73.180487
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -21.260
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -163.898737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.898737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.898737 (E_RNA)
where:
Base-Base interactions energy: -95.568
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.270
local terms energy: -68.061085
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -94.140166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.140166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.140166 (E_RNA)
where:
Base-Base interactions energy: -40.923
where: short stacking energy: -26.961
Base-Backbone interact. energy: -0.282
local terms energy: -52.934613
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.050
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: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -92.289762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289762 (E_RNA)
where:
Base-Base interactions energy: -44.720
where: short stacking energy: -34.187
Base-Backbone interact. energy: -0.184
local terms energy: -47.385516
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -3.812
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: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -86.035478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.035478 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -35.497
Base-Backbone interact. energy: 0.795
local terms energy: -51.534057
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -86.519888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.519888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.519888 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -22.094
Base-Backbone interact. energy: -0.230
local terms energy: -49.171504
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: 0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -231.396173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.396173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.396173 (E_RNA)
where:
Base-Base interactions energy: -159.405
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.384
local terms energy: -71.607261
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -214.445933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.445933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.445933 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.001
local terms energy: -71.840227
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -174.898837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.898837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.898837 (E_RNA)
where:
Base-Base interactions energy: -109.152
where: short stacking energy: -56.374
Base-Backbone interact. energy: 0.390
local terms energy: -66.136710
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -192.174872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.174872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.174872 (E_RNA)
where:
Base-Base interactions energy: -117.102
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.624
local terms energy: -74.448292
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -162.814349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.814349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.814349 (E_RNA)
where:
Base-Base interactions energy: -96.649
where: short stacking energy: -46.848
Base-Backbone interact. energy: -0.955
local terms energy: -65.210269
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -8.894
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: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -88.517940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.517940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.517940 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.276
local terms energy: -54.876195
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -135.108205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.108205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.108205 (E_RNA)
where:
Base-Base interactions energy: -73.466
where: short stacking energy: -46.303
Base-Backbone interact. energy: -0.624
local terms energy: -61.017395
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -94.521416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.521416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.521416 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.098
local terms energy: -57.212412
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -10.006
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -80.278018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.278018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.278018 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -32.948
Base-Backbone interact. energy: -0.352
local terms energy: -45.846716
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -5.838
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: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -71.494874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.494874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.494874 (E_RNA)
where:
Base-Base interactions energy: -21.257
where: short stacking energy: -16.008
Base-Backbone interact. energy: -1.359
local terms energy: -48.878636
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.091
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -219.688458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.688458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.688458 (E_RNA)
where:
Base-Base interactions energy: -140.911
where: short stacking energy: -69.358
Base-Backbone interact. energy: 1.117
local terms energy: -79.894276
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -231.962450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.962450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.962450 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.355
local terms energy: -75.693270
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -192.073503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.073503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.073503 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -63.333
Base-Backbone interact. energy: 1.550
local terms energy: -66.524238
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -182.375936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.375936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.375936 (E_RNA)
where:
Base-Base interactions energy: -116.727
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.155
local terms energy: -65.494859
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -107.881148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.881148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.881148 (E_RNA)
where:
Base-Base interactions energy: -46.552
where: short stacking energy: -45.237
Base-Backbone interact. energy: -0.044
local terms energy: -61.284801
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -11.030
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -153.153123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.153123 (E_RNA)
where:
Base-Base interactions energy: -92.079
where: short stacking energy: -40.518
Base-Backbone interact. energy: -1.026
local terms energy: -60.048143
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -152.912718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.912718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.912718 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.264
local terms energy: -66.693678
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -93.884506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884506 (E_RNA)
where:
Base-Base interactions energy: -39.097
where: short stacking energy: -35.958
Base-Backbone interact. energy: -0.117
local terms energy: -54.669934
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -3.880
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: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -95.905453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.905453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.905453 (E_RNA)
where:
Base-Base interactions energy: -49.232
where: short stacking energy: -26.527
Base-Backbone interact. energy: -0.750
local terms energy: -45.924205
where:
bonds (distance) C4'-P energy: -6.670
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -88.197780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197780 (E_RNA)
where:
Base-Base interactions energy: -37.438
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.004
local terms energy: -50.755822
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -210.705587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.705587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.705587 (E_RNA)
where:
Base-Base interactions energy: -143.175
where: short stacking energy: -69.449
Base-Backbone interact. energy: 0.273
local terms energy: -67.804090
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -234.040229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.040229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.040229 (E_RNA)
where:
Base-Base interactions energy: -150.298
where: short stacking energy: -71.151
Base-Backbone interact. energy: 0.107
local terms energy: -83.849150
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -211.035137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.035137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.035137 (E_RNA)
where:
Base-Base interactions energy: -141.561
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.062
local terms energy: -69.411882
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.620
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -178.524454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.524454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.524454 (E_RNA)
where:
Base-Base interactions energy: -106.943
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.001
local terms energy: -71.580759
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -101.921175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.921175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.921175 (E_RNA)
where:
Base-Base interactions energy: -44.941
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.184
local terms energy: -56.795508
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -5.696
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: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -137.152155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.152155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.152155 (E_RNA)
where:
Base-Base interactions energy: -75.676
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.308
local terms energy: -61.168157
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -6.523
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: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -145.834666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.834666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.834666 (E_RNA)
where:
Base-Base interactions energy: -82.448
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.510
local terms energy: -62.875918
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -89.051798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.051798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.051798 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.213
local terms energy: -53.763676
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -83.230841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230841 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.808
local terms energy: -49.807105
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -8.638
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.551537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.551537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.551537 (E_RNA)
where:
Base-Base interactions energy: -27.088
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.053
local terms energy: -52.410188
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -8.271
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: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -227.002598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002598 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.497
local terms energy: -78.095286
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -19.252
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -207.505827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.505827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.505827 (E_RNA)
where:
Base-Base interactions energy: -130.519
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.090
local terms energy: -76.896951
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -18.090
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -206.130397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.130397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.130397 (E_RNA)
where:
Base-Base interactions energy: -137.762
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.048
local terms energy: -68.320814
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.881
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: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -177.991281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.991281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.991281 (E_RNA)
where:
Base-Base interactions energy: -103.170
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.057
local terms energy: -74.764215
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -145.340099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.340099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.340099 (E_RNA)
where:
Base-Base interactions energy: -80.446
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.069
local terms energy: -64.824774
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -97.196644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.196644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.196644 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -36.473
Base-Backbone interact. energy: 1.066
local terms energy: -54.485404
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -152.018250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.018250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.018250 (E_RNA)
where:
Base-Base interactions energy: -84.816
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.054
local terms energy: -67.148956
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -82.556611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.556611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.556611 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -30.913
Base-Backbone interact. energy: 0.568
local terms energy: -44.963469
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -82.850228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.850228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.850228 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.165
local terms energy: -51.666032
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -85.506408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.506408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.506408 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.162
local terms energy: -53.302898
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -228.133028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.133028 (E_RNA)
where:
Base-Base interactions energy: -152.558
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.491
local terms energy: -75.083950
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -217.758088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.758088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.758088 (E_RNA)
where:
Base-Base interactions energy: -137.877
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.001
local terms energy: -79.880064
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -211.401056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.401056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.401056 (E_RNA)
where:
Base-Base interactions energy: -136.721
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.020
local terms energy: -74.660246
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.805
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -172.013097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.013097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.013097 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -55.080
Base-Backbone interact. energy: 0.394
local terms energy: -64.001960
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -9.366
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: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -151.083575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.083575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.083575 (E_RNA)
where:
Base-Base interactions energy: -89.949
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.168
local terms energy: -60.966380
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -97.479282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.479282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.479282 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -38.621
Base-Backbone interact. energy: -0.292
local terms energy: -58.566683
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -129.247854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.247854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.247854 (E_RNA)
where:
Base-Base interactions energy: -66.555
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.241
local terms energy: -62.451766
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -137.384530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.384530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.384530 (E_RNA)
where:
Base-Base interactions energy: -92.527
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.905
local terms energy: -43.952689
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -7.420
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: 61
Temperature: 1.300000
Total energy: -88.436777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436777 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -35.666
Base-Backbone interact. energy: -0.006
local terms energy: -52.765186
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -82.072092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.072092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.072092 (E_RNA)
where:
Base-Base interactions energy: -51.090
where: short stacking energy: -23.289
Base-Backbone interact. energy: 1.430
local terms energy: -32.411555
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -6.610
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: 6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -212.148969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.148969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.148969 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.139
local terms energy: -67.263421
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -213.975082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.975082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.975082 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.974
local terms energy: -71.761062
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -175.302517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.302517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.302517 (E_RNA)
where:
Base-Base interactions energy: -112.071
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.076
local terms energy: -63.155084
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -198.687227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687227 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.001
local terms energy: -61.313607
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -163.841465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.841465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.841465 (E_RNA)
where:
Base-Base interactions energy: -99.704
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.584
local terms energy: -63.553403
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -8.486
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -105.247922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.247922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.247922 (E_RNA)
where:
Base-Base interactions energy: -47.453
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.133
local terms energy: -57.661990
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -8.545
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: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -159.100737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.100737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.100737 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.128
local terms energy: -66.693358
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -147.560173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.560173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.560173 (E_RNA)
where:
Base-Base interactions energy: -90.322
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.289
local terms energy: -56.949321
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -8.768
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: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -86.007379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.007379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.007379 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -25.773
Base-Backbone interact. energy: -1.382
local terms energy: -44.996697
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -71.977508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.977508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.977508 (E_RNA)
where:
Base-Base interactions energy: -26.897
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.214
local terms energy: -44.866332
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -5.701
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -217.474291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.474291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.474291 (E_RNA)
where:
Base-Base interactions energy: -147.938
where: short stacking energy: -65.009
Base-Backbone interact. energy: 0.128
local terms energy: -69.664177
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -226.388086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.388086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.388086 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.295
local terms energy: -73.464734
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.945
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -175.640450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.640450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.640450 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.130
local terms energy: -63.053075
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -201.876319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.876319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.876319 (E_RNA)
where:
Base-Base interactions energy: -128.227
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.055
local terms energy: -73.595203
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -18.584
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -167.143943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.143943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.143943 (E_RNA)
where:
Base-Base interactions energy: -99.464
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.009
local terms energy: -67.671025
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -168.335305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.335305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.335305 (E_RNA)
where:
Base-Base interactions energy: -102.004
where: short stacking energy: -56.766
Base-Backbone interact. energy: -0.473
local terms energy: -65.858639
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -85.974745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974745 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.041
local terms energy: -51.851571
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -130.484367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.484367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.484367 (E_RNA)
where:
Base-Base interactions energy: -81.640
where: short stacking energy: -35.960
Base-Backbone interact. energy: 0.167
local terms energy: -49.011175
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -87.368399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.368399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.368399 (E_RNA)
where:
Base-Base interactions energy: -31.383
where: short stacking energy: -31.383
Base-Backbone interact. energy: 0.810
local terms energy: -56.795884
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.402755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402755 (E_RNA)
where:
Base-Base interactions energy: -30.867
where: short stacking energy: -30.867
Base-Backbone interact. energy: -0.025
local terms energy: -48.511066
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -226.997262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.997262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.997262 (E_RNA)
where:
Base-Base interactions energy: -150.574
where: short stacking energy: -69.866
Base-Backbone interact. energy: 0.826
local terms energy: -77.250039
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.012
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -210.387857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.387857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.387857 (E_RNA)
where:
Base-Base interactions energy: -143.718
where: short stacking energy: -61.138
Base-Backbone interact. energy: 0.075
local terms energy: -66.745015
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -14.265
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: 64
Temperature: 1.000000
Total energy: -199.367751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.367751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.367751 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.469
local terms energy: -78.736496
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -181.842616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842616 (E_RNA)
where:
Base-Base interactions energy: -112.700
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.278
local terms energy: -68.865147
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.427
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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -161.845480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.845480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.845480 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.000
local terms energy: -60.916668
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -154.199423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.199423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.199423 (E_RNA)
where:
Base-Base interactions energy: -97.496
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.264
local terms energy: -56.438881
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -116.467271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.467271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.467271 (E_RNA)
where:
Base-Base interactions energy: -69.908
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.160
local terms energy: -46.399738
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -89.406042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406042 (E_RNA)
where:
Base-Base interactions energy: -40.095
where: short stacking energy: -39.766
Base-Backbone interact. energy: -0.105
local terms energy: -49.205499
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.284
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: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -88.921003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.921003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.921003 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.091
local terms energy: -51.541478
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -78.734612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.734612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.734612 (E_RNA)
where:
Base-Base interactions energy: -28.241
where: short stacking energy: -18.062
Base-Backbone interact. energy: 0.426
local terms energy: -50.919992
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.746
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: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -228.968390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.968390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.968390 (E_RNA)
where:
Base-Base interactions energy: -154.402
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.520
local terms energy: -74.046460
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -215.471968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.471968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.471968 (E_RNA)
where:
Base-Base interactions energy: -145.537
where: short stacking energy: -64.958
Base-Backbone interact. energy: -0.054
local terms energy: -69.881555
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.610
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -199.495944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.495944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.495944 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.100
local terms energy: -64.979838
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -160.423538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.423538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.423538 (E_RNA)
where:
Base-Base interactions energy: -102.505
where: short stacking energy: -45.088
Base-Backbone interact. energy: 0.379
local terms energy: -58.297984
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -164.042254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.042254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.042254 (E_RNA)
where:
Base-Base interactions energy: -98.026
where: short stacking energy: -49.769
Base-Backbone interact. energy: -0.153
local terms energy: -65.863191
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -153.239213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.239213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.239213 (E_RNA)
where:
Base-Base interactions energy: -97.400
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.066
local terms energy: -55.772540
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -133.551012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.551012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.551012 (E_RNA)
where:
Base-Base interactions energy: -75.780
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.468
local terms energy: -57.303234
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -95.355713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.355713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.355713 (E_RNA)
where:
Base-Base interactions energy: -42.752
where: short stacking energy: -42.752
Base-Backbone interact. energy: -0.302
local terms energy: -52.301737
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -5.798
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -77.248103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.248103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.248103 (E_RNA)
where:
Base-Base interactions energy: -29.036
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.190
local terms energy: -48.021899
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -104.904118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.904118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.904118 (E_RNA)
where:
Base-Base interactions energy: -49.263
where: short stacking energy: -19.216
Base-Backbone interact. energy: -0.266
local terms energy: -55.375729
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -12.941
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -216.936675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.936675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.936675 (E_RNA)
where:
Base-Base interactions energy: -151.009
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.044
local terms energy: -65.883329
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -17.303
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -220.376779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.376779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.376779 (E_RNA)
where:
Base-Base interactions energy: -149.642
where: short stacking energy: -59.604
Base-Backbone interact. energy: -1.031
local terms energy: -69.704285
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -206.896169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.896169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.896169 (E_RNA)
where:
Base-Base interactions energy: -138.839
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.158
local terms energy: -67.898335
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -171.957320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.957320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.957320 (E_RNA)
where:
Base-Base interactions energy: -105.790
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.010
local terms energy: -66.157631
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -163.198885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.198885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.198885 (E_RNA)
where:
Base-Base interactions energy: -98.048
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.007
local terms energy: -65.143156
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -159.695727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.695727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.695727 (E_RNA)
where:
Base-Base interactions energy: -105.384
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.092
local terms energy: -54.219303
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -10.506
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: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -155.634960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.634960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.634960 (E_RNA)
where:
Base-Base interactions energy: -90.849
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.559
local terms energy: -64.227196
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -10.141
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: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -85.430356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.430356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.430356 (E_RNA)
where:
Base-Base interactions energy: -37.860
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.122
local terms energy: -47.448010
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -9.466
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: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -88.005666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.005666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.005666 (E_RNA)
where:
Base-Base interactions energy: -47.978
where: short stacking energy: -24.662
Base-Backbone interact. energy: -0.302
local terms energy: -39.725751
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -88.923248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.923248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.923248 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.142
local terms energy: -55.270109
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -8.744
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: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -225.675810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.675810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.675810 (E_RNA)
where:
Base-Base interactions energy: -154.084
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.086
local terms energy: -71.506125
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -217.340086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.340086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.340086 (E_RNA)
where:
Base-Base interactions energy: -152.783
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.295
local terms energy: -64.262257
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -224.074706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.074706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074706 (E_RNA)
where:
Base-Base interactions energy: -154.771
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.415
local terms energy: -68.887991
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -172.804267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.804267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.804267 (E_RNA)
where:
Base-Base interactions energy: -110.355
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.205
local terms energy: -62.243957
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -159.944191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.944191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.944191 (E_RNA)
where:
Base-Base interactions energy: -102.866
where: short stacking energy: -46.451
Base-Backbone interact. energy: -0.119
local terms energy: -56.958807
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -171.509829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.509829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.509829 (E_RNA)
where:
Base-Base interactions energy: -102.109
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.078
local terms energy: -69.323045
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -162.726719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.726719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.726719 (E_RNA)
where:
Base-Base interactions energy: -97.712
where: short stacking energy: -50.149
Base-Backbone interact. energy: -2.069
local terms energy: -62.945591
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -93.890244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.890244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.890244 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -34.149
Base-Backbone interact. energy: 0.739
local terms energy: -57.013977
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -102.228034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.228034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.228034 (E_RNA)
where:
Base-Base interactions energy: -49.507
where: short stacking energy: -26.001
Base-Backbone interact. energy: 0.405
local terms energy: -53.126109
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -76.762041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.762041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.762041 (E_RNA)
where:
Base-Base interactions energy: -31.588
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.729
local terms energy: -44.445268
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: 1.022
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -217.423679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.423679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.423679 (E_RNA)
where:
Base-Base interactions energy: -138.552
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.559
local terms energy: -78.312600
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -214.155709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.155709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.155709 (E_RNA)
where:
Base-Base interactions energy: -142.879
where: short stacking energy: -66.789
Base-Backbone interact. energy: 0.177
local terms energy: -71.453717
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -18.043
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: 68
Temperature: 1.000000
Total energy: -229.469443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.469443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.469443 (E_RNA)
where:
Base-Base interactions energy: -161.225
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.345
local terms energy: -67.899657
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -18.409
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: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -172.663558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.663558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.663558 (E_RNA)
where:
Base-Base interactions energy: -101.895
where: short stacking energy: -47.682
Base-Backbone interact. energy: 1.283
local terms energy: -72.052191
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -165.655352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.655352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.655352 (E_RNA)
where:
Base-Base interactions energy: -100.382
where: short stacking energy: -55.078
Base-Backbone interact. energy: 0.949
local terms energy: -66.222531
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -164.082188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.082188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082188 (E_RNA)
where:
Base-Base interactions energy: -107.692
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.281
local terms energy: -56.109634
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -153.132064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.132064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.132064 (E_RNA)
where:
Base-Base interactions energy: -90.410
where: short stacking energy: -46.472
Base-Backbone interact. energy: -1.005
local terms energy: -61.717052
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -82.546220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.546220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.546220 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -28.759
Base-Backbone interact. energy: -0.014
local terms energy: -53.772657
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -86.543735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543735 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.126
local terms energy: -48.454642
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -7.240
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: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -88.758886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758886 (E_RNA)
where:
Base-Base interactions energy: -48.110
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.246
local terms energy: -40.402651
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -5.880
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -1.787
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -206.517685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.517685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.517685 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.385
local terms energy: -64.172211
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -222.012622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012622 (E_RNA)
where:
Base-Base interactions energy: -155.839
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.371
local terms energy: -65.803078
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -213.180875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.180875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.180875 (E_RNA)
where:
Base-Base interactions energy: -143.431
where: short stacking energy: -66.629
Base-Backbone interact. energy: -0.010
local terms energy: -69.739878
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -184.582751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.582751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.582751 (E_RNA)
where:
Base-Base interactions energy: -114.852
where: short stacking energy: -52.655
Base-Backbone interact. energy: -0.040
local terms energy: -69.690700
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -163.548125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548125 (E_RNA)
where:
Base-Base interactions energy: -100.561
where: short stacking energy: -55.513
Base-Backbone interact. energy: -0.323
local terms energy: -62.664012
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -168.626258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.626258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.626258 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.182
local terms energy: -62.577849
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -150.774601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.774601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.774601 (E_RNA)
where:
Base-Base interactions energy: -85.843
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.070
local terms energy: -64.862168
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -87.232024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.232024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.232024 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.145
local terms energy: -50.112684
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -83.742279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742279 (E_RNA)
where:
Base-Base interactions energy: -26.126
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.111
local terms energy: -57.505227
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -81.947087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.947087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.947087 (E_RNA)
where:
Base-Base interactions energy: -27.173
where: short stacking energy: -22.420
Base-Backbone interact. energy: 0.037
local terms energy: -54.810506
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -236.446264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.446264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.446264 (E_RNA)
where:
Base-Base interactions energy: -169.020
where: short stacking energy: -64.758
Base-Backbone interact. energy: 0.649
local terms energy: -68.075392
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.307
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: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.312189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.312189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.312189 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -61.267
Base-Backbone interact. energy: 0.520
local terms energy: -71.482890
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -13.730
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: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -204.140264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140264 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.024
local terms energy: -70.951252
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -202.284188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.284188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.284188 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.155
local terms energy: -70.688721
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -146.866515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.866515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.866515 (E_RNA)
where:
Base-Base interactions energy: -79.861
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.089
local terms energy: -66.916107
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -167.739868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.739868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.739868 (E_RNA)
where:
Base-Base interactions energy: -104.406
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.718
local terms energy: -62.615861
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -92.664605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.664605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.664605 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -26.235
Base-Backbone interact. energy: 0.232
local terms energy: -47.909937
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -148.124958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.124958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.124958 (E_RNA)
where:
Base-Base interactions energy: -87.562
where: short stacking energy: -42.599
Base-Backbone interact. energy: -0.358
local terms energy: -60.204250
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.293
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -79.214020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.214020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.214020 (E_RNA)
where:
Base-Base interactions energy: -34.407
where: short stacking energy: -31.580
Base-Backbone interact. energy: 1.281
local terms energy: -46.088038
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -79.933066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933066 (E_RNA)
where:
Base-Base interactions energy: -26.875
where: short stacking energy: -20.832
Base-Backbone interact. energy: -0.263
local terms energy: -52.794998
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -239.442226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.442226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.442226 (E_RNA)
where:
Base-Base interactions energy: -171.704
where: short stacking energy: -64.922
Base-Backbone interact. energy: 1.333
local terms energy: -69.070775
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -12.607
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -211.508684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.508684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.508684 (E_RNA)
where:
Base-Base interactions energy: -138.827
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.045
local terms energy: -72.636675
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -3.922
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: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -200.549382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.549382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.549382 (E_RNA)
where:
Base-Base interactions energy: -129.433
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.300
local terms energy: -70.816780
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -172.047577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.047577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.047577 (E_RNA)
where:
Base-Base interactions energy: -102.363
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.063
local terms energy: -69.621894
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.073
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -137.334976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.334976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.334976 (E_RNA)
where:
Base-Base interactions energy: -79.437
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.114
local terms energy: -57.784156
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -157.895900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.895900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.895900 (E_RNA)
where:
Base-Base interactions energy: -97.576
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.456
local terms energy: -59.864271
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -8.958
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: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -80.214015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.214015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.214015 (E_RNA)
where:
Base-Base interactions energy: -31.295
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.208
local terms energy: -48.710962
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -131.791238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.791238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.791238 (E_RNA)
where:
Base-Base interactions energy: -70.888
where: short stacking energy: -35.586
Base-Backbone interact. energy: -1.714
local terms energy: -59.189702
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -87.741577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.741577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.741577 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.213
local terms energy: -53.095762
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -91.413821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413821 (E_RNA)
where:
Base-Base interactions energy: -46.889
where: short stacking energy: -30.789
Base-Backbone interact. energy: -1.096
local terms energy: -43.428004
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -237.824982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.824982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.824982 (E_RNA)
where:
Base-Base interactions energy: -174.574
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.267
local terms energy: -62.984101
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -219.339356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.339356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.339356 (E_RNA)
where:
Base-Base interactions energy: -145.142
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.039
local terms energy: -74.157851
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -200.195303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.195303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.195303 (E_RNA)
where:
Base-Base interactions energy: -140.591
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.340
local terms energy: -59.263539
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -181.661113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.661113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.661113 (E_RNA)
where:
Base-Base interactions energy: -110.314
where: short stacking energy: -62.542
Base-Backbone interact. energy: 0.391
local terms energy: -71.738720
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -174.049910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.049910 (E_RNA)
where:
Base-Base interactions energy: -106.674
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.550
local terms energy: -66.825377
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.982
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: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -146.247905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.247905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.247905 (E_RNA)
where:
Base-Base interactions energy: -85.884
where: short stacking energy: -41.209
Base-Backbone interact. energy: -1.208
local terms energy: -59.155814
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -141.901473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.901473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.901473 (E_RNA)
where:
Base-Base interactions energy: -76.354
where: short stacking energy: -40.973
Base-Backbone interact. energy: -1.228
local terms energy: -64.319488
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -84.115663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.115663 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.015
local terms energy: -52.995258
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -75.856462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.856462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.856462 (E_RNA)
where:
Base-Base interactions energy: -29.368
where: short stacking energy: -26.875
Base-Backbone interact. energy: 1.527
local terms energy: -48.015690
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.331
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -81.038012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.038012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.038012 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.206
local terms energy: -49.653206
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -9.071
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: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -238.235576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.235576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.235576 (E_RNA)
where:
Base-Base interactions energy: -169.790
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.403
local terms energy: -68.042168
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -215.389292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.389292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389292 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.021
local terms energy: -70.279267
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -215.463308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.463308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.463308 (E_RNA)
where:
Base-Base interactions energy: -145.570
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.451
local terms energy: -69.442808
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -186.589359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589359 (E_RNA)
where:
Base-Base interactions energy: -108.865
where: short stacking energy: -61.554
Base-Backbone interact. energy: -1.411
local terms energy: -76.312996
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -13.499
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -137.499642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.499642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.499642 (E_RNA)
where:
Base-Base interactions energy: -77.431
where: short stacking energy: -45.690
Base-Backbone interact. energy: 0.379
local terms energy: -60.447315
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -141.746431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.746431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.746431 (E_RNA)
where:
Base-Base interactions energy: -80.926
where: short stacking energy: -44.009
Base-Backbone interact. energy: -0.054
local terms energy: -60.765749
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -12.358
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: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -163.685165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.685165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.685165 (E_RNA)
where:
Base-Base interactions energy: -99.012
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.014
local terms energy: -64.658790
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -93.098657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.098657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.098657 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.088
local terms energy: -56.260665
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -9.782
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: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.580863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.580863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.580863 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -33.764
Base-Backbone interact. energy: 0.225
local terms energy: -53.641732
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -75.856321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.856321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.856321 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.031
local terms energy: -45.698993
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -1.006
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: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -210.968321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.968321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.968321 (E_RNA)
where:
Base-Base interactions energy: -141.406
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.047
local terms energy: -69.514833
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -12.017
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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -229.407637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.407637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.407637 (E_RNA)
where:
Base-Base interactions energy: -155.291
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.533
local terms energy: -73.583093
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -187.311331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.311331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.311331 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.088
local terms energy: -75.050002
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -198.488907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.488907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.488907 (E_RNA)
where:
Base-Base interactions energy: -136.249
where: short stacking energy: -63.445
Base-Backbone interact. energy: -0.409
local terms energy: -61.831297
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -16.833
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: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -142.678915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.678915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.678915 (E_RNA)
where:
Base-Base interactions energy: -83.839
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.085
local terms energy: -58.755598
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -129.166043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.166043 (E_RNA)
where:
Base-Base interactions energy: -68.835
where: short stacking energy: -43.857
Base-Backbone interact. energy: -0.301
local terms energy: -60.029322
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -7.273
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: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -179.058256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.058256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.058256 (E_RNA)
where:
Base-Base interactions energy: -112.578
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.001
local terms energy: -66.480193
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.838
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -80.705929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705929 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.026
local terms energy: -47.554458
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -8.282
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -86.770146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.770146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.770146 (E_RNA)
where:
Base-Base interactions energy: -39.975
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.595
local terms energy: -46.199495
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.370
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: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -82.132847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132847 (E_RNA)
where:
Base-Base interactions energy: -33.901
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.035
local terms energy: -48.197175
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -7.308
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: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -215.807152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.807152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.807152 (E_RNA)
where:
Base-Base interactions energy: -146.335
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.100
local terms energy: -69.372391
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -230.054113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.054113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.054113 (E_RNA)
where:
Base-Base interactions energy: -165.662
where: short stacking energy: -70.530
Base-Backbone interact. energy: -1.070
local terms energy: -63.322107
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -7.396
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: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -191.887489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.887489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.887489 (E_RNA)
where:
Base-Base interactions energy: -116.086
where: short stacking energy: -65.378
Base-Backbone interact. energy: -1.299
local terms energy: -74.502561
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -13.629
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: 75
Temperature: 1.050000
Total energy: -191.123167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.123167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.123167 (E_RNA)
where:
Base-Base interactions energy: -122.273
where: short stacking energy: -59.212
Base-Backbone interact. energy: -0.002
local terms energy: -68.848428
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -160.866071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.866071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.866071 (E_RNA)
where:
Base-Base interactions energy: -101.298
where: short stacking energy: -54.511
Base-Backbone interact. energy: 0.218
local terms energy: -59.786581
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -154.398693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.398693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.398693 (E_RNA)
where:
Base-Base interactions energy: -99.874
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.941
local terms energy: -53.583838
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -8.031
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -141.314480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.314480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.314480 (E_RNA)
where:
Base-Base interactions energy: -79.860
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.072
local terms energy: -61.382581
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -8.115
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -102.086857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.086857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.086857 (E_RNA)
where:
Base-Base interactions energy: -55.794
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.180
local terms energy: -46.113168
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -87.169243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.169243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.169243 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -27.993
Base-Backbone interact. energy: -0.774
local terms energy: -46.306008
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -92.121857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.121857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.121857 (E_RNA)
where:
Base-Base interactions energy: -46.906
where: short stacking energy: -23.746
Base-Backbone interact. energy: 0.251
local terms energy: -45.467245
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.483
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -234.986529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.986529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.986529 (E_RNA)
where:
Base-Base interactions energy: -161.836
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.496
local terms energy: -72.653996
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -211.047079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047079 (E_RNA)
where:
Base-Base interactions energy: -130.775
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.001
local terms energy: -80.270485
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -201.476293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476293 (E_RNA)
where:
Base-Base interactions energy: -138.067
where: short stacking energy: -64.513
Base-Backbone interact. energy: -0.453
local terms energy: -62.956680
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -1.435
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: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -172.090666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.090666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.090666 (E_RNA)
where:
Base-Base interactions energy: -103.785
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.099
local terms energy: -68.205965
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -21.224
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -170.359168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.359168 (E_RNA)
where:
Base-Base interactions energy: -105.561
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.038
local terms energy: -64.760510
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -148.761483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.761483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.761483 (E_RNA)
where:
Base-Base interactions energy: -95.717
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.619
local terms energy: -52.425458
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -101.558863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.558863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.558863 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -38.615
Base-Backbone interact. energy: -0.052
local terms energy: -56.045243
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -6.146
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: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -106.162111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.162111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.162111 (E_RNA)
where:
Base-Base interactions energy: -52.332
where: short stacking energy: -25.386
Base-Backbone interact. energy: -0.485
local terms energy: -53.345231
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.644
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: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -87.271713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271713 (E_RNA)
where:
Base-Base interactions energy: -51.147
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.144
local terms energy: -35.980653
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: 2.313
tors. eta vs tors. theta energy: -1.642
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: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -81.629615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.629615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.629615 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -29.968
Base-Backbone interact. energy: -0.312
local terms energy: -48.250526
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -241.427475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427475 (E_RNA)
where:
Base-Base interactions energy: -170.199
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.422
local terms energy: -70.806434
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.869
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: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -193.792835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.792835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.792835 (E_RNA)
where:
Base-Base interactions energy: -132.369
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.002
local terms energy: -61.422563
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -13.997
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: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -205.358835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.358835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.358835 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.632
local terms energy: -74.300811
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -176.626103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.626103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.626103 (E_RNA)
where:
Base-Base interactions energy: -109.994
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.036
local terms energy: -66.595955
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -14.615
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -167.685660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.685660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.685660 (E_RNA)
where:
Base-Base interactions energy: -107.682
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.649
local terms energy: -59.354460
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -167.006193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.006193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.006193 (E_RNA)
where:
Base-Base interactions energy: -101.133
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.144
local terms energy: -65.729121
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -14.073
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: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -110.872780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.872780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.872780 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -45.616
Base-Backbone interact. energy: 0.135
local terms energy: -41.301741
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -6.828
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: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -93.013019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.013019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.013019 (E_RNA)
where:
Base-Base interactions energy: -45.542
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.105
local terms energy: -47.366666
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -1.951
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -76.607568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.607568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.607568 (E_RNA)
where:
Base-Base interactions energy: -33.300
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.462
local terms energy: -42.845836
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -84.627720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627720 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.140
local terms energy: -48.984467
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -234.878734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.878734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.878734 (E_RNA)
where:
Base-Base interactions energy: -164.201
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.470
local terms energy: -70.207711
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -211.484462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.484462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.484462 (E_RNA)
where:
Base-Base interactions energy: -134.775
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.001
local terms energy: -76.707854
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -217.390270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.390270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.390270 (E_RNA)
where:
Base-Base interactions energy: -146.962
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.001
local terms energy: -70.427874
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.288
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: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -169.172908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.172908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.172908 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -53.363
Base-Backbone interact. energy: 0.659
local terms energy: -63.280391
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -174.180094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.180094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.180094 (E_RNA)
where:
Base-Base interactions energy: -107.324
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.574
local terms energy: -66.281902
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -146.542597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.542597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.542597 (E_RNA)
where:
Base-Base interactions energy: -82.559
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.143
local terms energy: -63.841219
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -130.932191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.932191 (E_RNA)
where:
Base-Base interactions energy: -78.697
where: short stacking energy: -30.978
Base-Backbone interact. energy: -0.913
local terms energy: -51.322615
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -113.637469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.637469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.637469 (E_RNA)
where:
Base-Base interactions energy: -69.113
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.354
local terms energy: -44.170044
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -89.255100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.255100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.255100 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.144
local terms energy: -49.702144
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -77.718673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.718673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.718673 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -29.579
Base-Backbone interact. energy: 3.668
local terms energy: -50.874296
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -234.005788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.005788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.005788 (E_RNA)
where:
Base-Base interactions energy: -160.742
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.227
local terms energy: -73.036518
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.457
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: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -221.469475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.469475 (E_RNA)
where:
Base-Base interactions energy: -150.748
where: short stacking energy: -66.715
Base-Backbone interact. energy: -0.003
local terms energy: -70.718901
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -206.768688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.768688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.768688 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -66.068
Base-Backbone interact. energy: -0.005
local terms energy: -79.510245
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -174.708111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.708111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.708111 (E_RNA)
where:
Base-Base interactions energy: -103.147
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.003
local terms energy: -71.558494
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -165.085001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.085001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.085001 (E_RNA)
where:
Base-Base interactions energy: -107.651
where: short stacking energy: -52.679
Base-Backbone interact. energy: -0.236
local terms energy: -57.198070
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -153.451530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.451530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.451530 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.421
local terms energy: -67.935748
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -11.739
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: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -133.223932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.223932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.223932 (E_RNA)
where:
Base-Base interactions energy: -77.673
where: short stacking energy: -44.394
Base-Backbone interact. energy: -0.961
local terms energy: -54.589864
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -100.304711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.304711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.304711 (E_RNA)
where:
Base-Base interactions energy: -50.343
where: short stacking energy: -45.984
Base-Backbone interact. energy: -0.249
local terms energy: -49.712761
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -128.157183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.157183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.157183 (E_RNA)
where:
Base-Base interactions energy: -74.639
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.038
local terms energy: -53.479985
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -75.655564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.655564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.655564 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -24.755
Base-Backbone interact. energy: -0.079
local terms energy: -46.251378
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -229.596562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.596562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596562 (E_RNA)
where:
Base-Base interactions energy: -157.052
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.264
local terms energy: -72.280905
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -218.996871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.996871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.996871 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.002
local terms energy: -74.272713
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -214.689701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.689701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.689701 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.001
local terms energy: -79.501884
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -19.981
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: 80
Temperature: 1.050000
Total energy: -181.500458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500458 (E_RNA)
where:
Base-Base interactions energy: -114.116
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.529
local terms energy: -66.854893
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -172.426251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.426251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.426251 (E_RNA)
where:
Base-Base interactions energy: -113.418
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.065
local terms energy: -58.943475
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -13.521
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: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -150.879825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.879825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.879825 (E_RNA)
where:
Base-Base interactions energy: -98.883
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.238
local terms energy: -51.759005
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -5.146
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: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -142.678721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.678721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.678721 (E_RNA)
where:
Base-Base interactions energy: -89.785
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.821
local terms energy: -52.073212
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -94.313516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.313516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.313516 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -35.154
Base-Backbone interact. energy: -0.115
local terms energy: -47.866949
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -86.886532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.886532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.886532 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -28.243
Base-Backbone interact. energy: -1.449
local terms energy: -48.343856
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -77.597743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.597743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.597743 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.036
local terms energy: -48.810342
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -6.718
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -230.683422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.683422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.683422 (E_RNA)
where:
Base-Base interactions energy: -157.590
where: short stacking energy: -64.879
Base-Backbone interact. energy: -0.504
local terms energy: -72.589459
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -12.385
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: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -219.472737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.472737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.472737 (E_RNA)
where:
Base-Base interactions energy: -144.945
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.020
local terms energy: -74.508444
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -17.691
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: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -199.288484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288484 (E_RNA)
where:
Base-Base interactions energy: -130.596
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.191
local terms energy: -68.500844
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -175.029807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.029807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.029807 (E_RNA)
where:
Base-Base interactions energy: -107.107
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.183
local terms energy: -67.739527
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -178.282851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.282851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.282851 (E_RNA)
where:
Base-Base interactions energy: -114.251
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.019
local terms energy: -64.013464
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -155.226221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.226221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.226221 (E_RNA)
where:
Base-Base interactions energy: -94.265
where: short stacking energy: -47.036
Base-Backbone interact. energy: -1.363
local terms energy: -59.598853
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -11.576
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -133.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.857148 (E_RNA)
where:
Base-Base interactions energy: -71.333
where: short stacking energy: -32.397
Base-Backbone interact. energy: 0.310
local terms energy: -62.833966
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.237
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: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -93.143144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.143144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.143144 (E_RNA)
where:
Base-Base interactions energy: -35.536
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.023
local terms energy: -57.583847
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -93.577253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.577253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.577253 (E_RNA)
where:
Base-Base interactions energy: -56.410
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.617
local terms energy: -36.550107
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -77.388058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.388058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.388058 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.099
local terms energy: -45.634144
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -2.791
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: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -220.996407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996407 (E_RNA)
where:
Base-Base interactions energy: -141.285
where: short stacking energy: -73.399
Base-Backbone interact. energy: -0.002
local terms energy: -79.709365
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -228.969222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.969222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.969222 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.625
local terms energy: -71.511194
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -209.329179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.329179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.329179 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -67.554
Base-Backbone interact. energy: 1.881
local terms energy: -71.748638
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -17.907
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: 82
Temperature: 1.050000
Total energy: -166.165004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.165004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.165004 (E_RNA)
where:
Base-Base interactions energy: -100.543
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.024
local terms energy: -65.598599
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -179.053035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.053035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.053035 (E_RNA)
where:
Base-Base interactions energy: -111.716
where: short stacking energy: -65.990
Base-Backbone interact. energy: -1.158
local terms energy: -66.179309
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -148.815384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.815384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.815384 (E_RNA)
where:
Base-Base interactions energy: -84.861
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.707
local terms energy: -63.247760
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -143.852638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.852638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.852638 (E_RNA)
where:
Base-Base interactions energy: -91.226
where: short stacking energy: -40.056
Base-Backbone interact. energy: -0.642
local terms energy: -51.983734
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -89.327657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.327657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.327657 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.288
local terms energy: -55.446890
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -86.252712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.252712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.252712 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -38.150
Base-Backbone interact. energy: 0.797
local terms energy: -48.899731
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -82.529161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.529161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.529161 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.010
local terms energy: -48.982185
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -215.881626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881626 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.461
local terms energy: -69.670447
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -18.206
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: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -212.156325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.156325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156325 (E_RNA)
where:
Base-Base interactions energy: -141.783
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.008
local terms energy: -70.365215
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -216.520644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.520644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520644 (E_RNA)
where:
Base-Base interactions energy: -148.150
where: short stacking energy: -58.734
Base-Backbone interact. energy: -0.684
local terms energy: -67.686770
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -178.016180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.016180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.016180 (E_RNA)
where:
Base-Base interactions energy: -113.852
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.024
local terms energy: -64.140174
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.432
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: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -180.990911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.990911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.990911 (E_RNA)
where:
Base-Base interactions energy: -116.230
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.633
local terms energy: -64.127827
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -173.271123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.271123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.271123 (E_RNA)
where:
Base-Base interactions energy: -101.223
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.108
local terms energy: -71.940407
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -128.234777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.234777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.234777 (E_RNA)
where:
Base-Base interactions energy: -65.655
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.341
local terms energy: -62.239253
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -87.957490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.957490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.957490 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.063
local terms energy: -55.040109
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -7.051
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: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -86.626707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.626707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.626707 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -29.796
Base-Backbone interact. energy: 0.792
local terms energy: -51.488531
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -2.517
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: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.842407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.842407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.842407 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.779
local terms energy: -53.347421
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -4.019
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: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -210.841082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841082 (E_RNA)
where:
Base-Base interactions energy: -140.051
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.119
local terms energy: -70.671461
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -198.025332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.025332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.025332 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.000
local terms energy: -75.372436
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -215.977549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.977549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.977549 (E_RNA)
where:
Base-Base interactions energy: -151.016
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.315
local terms energy: -64.646024
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -171.187125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.187125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.187125 (E_RNA)
where:
Base-Base interactions energy: -105.640
where: short stacking energy: -53.151
Base-Backbone interact. energy: -0.269
local terms energy: -65.278213
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.290
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: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -192.832709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.832709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.832709 (E_RNA)
where:
Base-Base interactions energy: -123.733
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.000
local terms energy: -69.099499
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.989
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -164.453960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.453960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.453960 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.673
local terms energy: -64.908959
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -142.914665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.914665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.914665 (E_RNA)
where:
Base-Base interactions energy: -81.422
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.406
local terms energy: -61.086728
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -84.899129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.899129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.899129 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -28.284
Base-Backbone interact. energy: -0.301
local terms energy: -54.813271
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -1.012
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: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -79.633744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633744 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.134
local terms energy: -47.136107
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -2.170
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: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.345548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.345548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.345548 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.263
local terms energy: -50.043295
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -212.388601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.388601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.388601 (E_RNA)
where:
Base-Base interactions energy: -135.800
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.005
local terms energy: -76.582999
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -220.001850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.001850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001850 (E_RNA)
where:
Base-Base interactions energy: -155.260
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.405
local terms energy: -64.336718
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.784
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: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -206.862163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.862163 (E_RNA)
where:
Base-Base interactions energy: -140.432
where: short stacking energy: -61.212
Base-Backbone interact. energy: 0.772
local terms energy: -67.202156
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -174.204268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.204268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.204268 (E_RNA)
where:
Base-Base interactions energy: -102.528
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.117
local terms energy: -71.559502
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -159.198659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.198659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.198659 (E_RNA)
where:
Base-Base interactions energy: -107.050
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.220
local terms energy: -51.928564
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -11.438
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -170.626364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.626364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.626364 (E_RNA)
where:
Base-Base interactions energy: -107.790
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.147
local terms energy: -62.688815
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -120.068744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.068744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.068744 (E_RNA)
where:
Base-Base interactions energy: -69.537
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.135
local terms energy: -50.396867
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -11.638
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: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -99.083326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.083326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.083326 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.007
local terms energy: -62.587526
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -90.582609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.582609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.582609 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -36.828
Base-Backbone interact. energy: -0.492
local terms energy: -53.262334
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -89.324248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324248 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -22.870
Base-Backbone interact. energy: 0.163
local terms energy: -49.958112
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -217.634349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.634349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.634349 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -72.340
Base-Backbone interact. energy: -0.356
local terms energy: -70.128581
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -15.255
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -220.976098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.976098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.976098 (E_RNA)
where:
Base-Base interactions energy: -146.611
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.271
local terms energy: -74.093985
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -213.026976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.026976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.026976 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -75.968
Base-Backbone interact. energy: -0.091
local terms energy: -71.554612
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -170.823064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.823064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.823064 (E_RNA)
where:
Base-Base interactions energy: -102.148
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.003
local terms energy: -68.671940
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -139.964229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.964229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.964229 (E_RNA)
where:
Base-Base interactions energy: -80.126
where: short stacking energy: -47.898
Base-Backbone interact. energy: -0.050
local terms energy: -59.788143
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.673
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: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -167.626309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.626309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.626309 (E_RNA)
where:
Base-Base interactions energy: -104.150
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.141
local terms energy: -63.334803
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -99.926838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.926838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.926838 (E_RNA)
where:
Base-Base interactions energy: -52.793
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.454
local terms energy: -46.680201
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -86.588067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.588067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.588067 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.169
local terms energy: -55.618490
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -76.880604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.880604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.880604 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -29.299
Base-Backbone interact. energy: 0.340
local terms energy: -41.083190
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -6.110
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: 4.279
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: 86
Temperature: 1.350000
Total energy: -78.132148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.132148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.132148 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.092
local terms energy: -50.781720
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -208.807365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.807365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.807365 (E_RNA)
where:
Base-Base interactions energy: -134.043
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.040
local terms energy: -74.724611
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -210.023871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.023871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.023871 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.051
local terms energy: -75.013799
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -21.286
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -219.435216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.435216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435216 (E_RNA)
where:
Base-Base interactions energy: -144.179
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.497
local terms energy: -74.759375
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -177.390595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.390595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.390595 (E_RNA)
where:
Base-Base interactions energy: -109.436
where: short stacking energy: -55.977
Base-Backbone interact. energy: -1.292
local terms energy: -66.662665
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -12.035
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: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -176.218315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.218315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.218315 (E_RNA)
where:
Base-Base interactions energy: -103.965
where: short stacking energy: -58.735
Base-Backbone interact. energy: 1.030
local terms energy: -73.283799
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -179.223300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.223300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.223300 (E_RNA)
where:
Base-Base interactions energy: -118.439
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.201
local terms energy: -60.583252
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -1.490
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -92.443860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.443860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.443860 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -31.206
Base-Backbone interact. energy: -2.068
local terms energy: -55.942253
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.757
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -106.299014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.299014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.299014 (E_RNA)
where:
Base-Base interactions energy: -47.656
where: short stacking energy: -43.638
Base-Backbone interact. energy: -0.068
local terms energy: -58.574543
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -10.513
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.464782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.464782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.464782 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -31.382
Base-Backbone interact. energy: 0.330
local terms energy: -47.908985
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: 0.177
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -69.076503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.076503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.076503 (E_RNA)
where:
Base-Base interactions energy: -19.548
where: short stacking energy: -19.548
Base-Backbone interact. energy: -0.090
local terms energy: -49.437625
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: 1.117
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: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -212.387177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.387177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.387177 (E_RNA)
where:
Base-Base interactions energy: -138.067
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.101
local terms energy: -74.220013
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -209.683943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.683943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.683943 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.019
local terms energy: -71.646100
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.728
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: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -218.496744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.496744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496744 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -60.745
Base-Backbone interact. energy: -2.118
local terms energy: -73.286483
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -172.035073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.035073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.035073 (E_RNA)
where:
Base-Base interactions energy: -106.125
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.085
local terms energy: -65.825232
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -165.234021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.234021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.234021 (E_RNA)
where:
Base-Base interactions energy: -100.609
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.299
local terms energy: -64.325648
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -169.966152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.966152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.966152 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.099
local terms energy: -60.538365
where:
bonds (distance) C4'-P energy: -5.298
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.666
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: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -91.009301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.009301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.009301 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -39.650
Base-Backbone interact. energy: -0.034
local terms energy: -51.325901
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -5.627
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: 88
Temperature: 1.250000
Total energy: -90.021195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.021195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.021195 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.089
local terms energy: -50.997790
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -93.880998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880998 (E_RNA)
where:
Base-Base interactions energy: -45.094
where: short stacking energy: -24.343
Base-Backbone interact. energy: -0.274
local terms energy: -48.513215
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -83.959687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.959687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.959687 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -31.186
Base-Backbone interact. energy: -0.003
local terms energy: -46.744101
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -5.606
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -203.427531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.427531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.427531 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -58.380
Base-Backbone interact. energy: -0.060
local terms energy: -69.100964
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.736
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: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -220.000262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.000262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.000262 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.409
local terms energy: -72.181943
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -202.061725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.061725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.061725 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -67.711
Base-Backbone interact. energy: 0.669
local terms energy: -68.945034
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -176.040401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.040401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.040401 (E_RNA)
where:
Base-Base interactions energy: -105.918
where: short stacking energy: -59.141
Base-Backbone interact. energy: -0.029
local terms energy: -70.093024
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -179.867472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867472 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.086
local terms energy: -66.270275
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -169.427773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.427773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.427773 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.016
local terms energy: -60.971983
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -10.323
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: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -108.814006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.814006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.814006 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.107
local terms energy: -60.498607
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -111.817961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.817961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.817961 (E_RNA)
where:
Base-Base interactions energy: -54.009
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.166
local terms energy: -57.643770
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -8.493
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: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -84.669686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669686 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -30.387
Base-Backbone interact. energy: 2.258
local terms energy: -44.620950
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -84.442407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.442407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.442407 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.144
local terms energy: -46.369671
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -221.707383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.707383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707383 (E_RNA)
where:
Base-Base interactions energy: -149.740
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.192
local terms energy: -71.776107
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -209.030542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.030542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.030542 (E_RNA)
where:
Base-Base interactions energy: -145.726
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.161
local terms energy: -63.143799
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -209.555460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.555460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.555460 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -55.423
Base-Backbone interact. energy: -1.203
local terms energy: -72.216515
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.666
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: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -167.716740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.716740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.716740 (E_RNA)
where:
Base-Base interactions energy: -113.333
where: short stacking energy: -61.950
Base-Backbone interact. energy: 0.260
local terms energy: -54.643606
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -167.181117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.181117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.181117 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.139
local terms energy: -60.777121
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -161.600565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.600565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.600565 (E_RNA)
where:
Base-Base interactions energy: -98.718
where: short stacking energy: -52.926
Base-Backbone interact. energy: -0.310
local terms energy: -62.572303
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -7.708
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: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -86.964081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964081 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.073
local terms energy: -46.641339
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -9.759
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: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -86.415372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.415372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.415372 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.132
local terms energy: -55.395703
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -6.137
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: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -166.998488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.998488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.998488 (E_RNA)
where:
Base-Base interactions energy: -112.946
where: short stacking energy: -52.837
Base-Backbone interact. energy: -0.005
local terms energy: -54.047689
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -11.351
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -77.154374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.154374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.154374 (E_RNA)
where:
Base-Base interactions energy: -27.568
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.028
local terms energy: -49.558342
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.535
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: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -228.810139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810139 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.173
local terms energy: -75.405814
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -216.878674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.878674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.878674 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.099
local terms energy: -73.693734
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -206.600480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.600480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.600480 (E_RNA)
where:
Base-Base interactions energy: -136.095
where: short stacking energy: -66.378
Base-Backbone interact. energy: -0.303
local terms energy: -70.201673
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -184.799445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799445 (E_RNA)
where:
Base-Base interactions energy: -113.503
where: short stacking energy: -62.190
Base-Backbone interact. energy: 0.391
local terms energy: -71.687587
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -165.981744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.981744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.981744 (E_RNA)
where:
Base-Base interactions energy: -101.405
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.011
local terms energy: -64.565628
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -147.879646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.879646 (E_RNA)
where:
Base-Base interactions energy: -84.196
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.078
local terms energy: -63.605824
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -84.892211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.892211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.892211 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.093
local terms energy: -54.090422
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -80.917503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.917503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.917503 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -30.376
Base-Backbone interact. energy: -0.128
local terms energy: -50.413923
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -81.118358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.118358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.118358 (E_RNA)
where:
Base-Base interactions energy: -30.328
where: short stacking energy: -30.267
Base-Backbone interact. energy: 0.624
local terms energy: -51.414525
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -74.569695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.569695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.569695 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.339
Base-Backbone interact. energy: 0.311
local terms energy: -46.541705
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -227.556282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.556282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.556282 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.002
local terms energy: -70.305134
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -215.029408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.029408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.029408 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.462
local terms energy: -70.193794
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -200.573294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.573294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.573294 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.062
local terms energy: -62.665319
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -171.526278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.526278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.526278 (E_RNA)
where:
Base-Base interactions energy: -113.059
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.760
local terms energy: -57.707208
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -14.717
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: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -166.020760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.020760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.020760 (E_RNA)
where:
Base-Base interactions energy: -108.518
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.149
local terms energy: -57.353881
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -158.452874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.452874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.452874 (E_RNA)
where:
Base-Base interactions energy: -103.455
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.122
local terms energy: -54.875713
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -94.780659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.780659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.780659 (E_RNA)
where:
Base-Base interactions energy: -47.147
where: short stacking energy: -47.247
Base-Backbone interact. energy: 4.115
local terms energy: -51.748840
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -7.970
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: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -93.311397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.311397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.311397 (E_RNA)
where:
Base-Base interactions energy: -36.081
where: short stacking energy: -31.781
Base-Backbone interact. energy: -0.396
local terms energy: -56.835118
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -87.525524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.525524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.525524 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -18.412
Base-Backbone interact. energy: -0.404
local terms energy: -54.575805
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.602
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: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -82.667286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667286 (E_RNA)
where:
Base-Base interactions energy: -28.980
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.163
local terms energy: -53.524548
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -225.994627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.994627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.994627 (E_RNA)
where:
Base-Base interactions energy: -155.348
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.003
local terms energy: -70.644211
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -217.628532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.628532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628532 (E_RNA)
where:
Base-Base interactions energy: -153.850
where: short stacking energy: -52.519
Base-Backbone interact. energy: 1.596
local terms energy: -65.375048
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -204.450427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.450427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.450427 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.047
local terms energy: -72.795276
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -150.428141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.428141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.428141 (E_RNA)
where:
Base-Base interactions energy: -84.523
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.005
local terms energy: -65.899931
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.494
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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -161.840126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.840126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.840126 (E_RNA)
where:
Base-Base interactions energy: -96.867
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.100
local terms energy: -64.872873
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -149.114355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.114355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.114355 (E_RNA)
where:
Base-Base interactions energy: -88.121
where: short stacking energy: -43.830
Base-Backbone interact. energy: 0.520
local terms energy: -61.513136
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -11.946
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: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -109.080134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.080134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.080134 (E_RNA)
where:
Base-Base interactions energy: -52.726
where: short stacking energy: -31.407
Base-Backbone interact. energy: -1.193
local terms energy: -55.160821
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -97.898454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.898454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.898454 (E_RNA)
where:
Base-Base interactions energy: -44.305
where: short stacking energy: -31.193
Base-Backbone interact. energy: 0.509
local terms energy: -54.102974
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.843
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: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -81.867485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.867485 (E_RNA)
where:
Base-Base interactions energy: -30.029
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.173
local terms energy: -51.664796
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -72.499930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.499930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.499930 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -22.345
Base-Backbone interact. energy: 0.869
local terms energy: -46.480034
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -0.771
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: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -222.054556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.054556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.054556 (E_RNA)
where:
Base-Base interactions energy: -144.163
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.388
local terms energy: -77.503618
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -220.991146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.991146 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.175
local terms energy: -72.223520
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.114
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -205.708198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.708198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.708198 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.163
local terms energy: -76.695287
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.679
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -167.592203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592203 (E_RNA)
where:
Base-Base interactions energy: -108.445
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.248
local terms energy: -58.898390
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -162.944009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.944009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.944009 (E_RNA)
where:
Base-Base interactions energy: -102.620
where: short stacking energy: -48.185
Base-Backbone interact. energy: -0.441
local terms energy: -59.882404
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -149.355704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.355704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.355704 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -48.766
Base-Backbone interact. energy: -0.698
local terms energy: -55.457445
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -8.460
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: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -95.592432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.592432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.592432 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.100
local terms energy: -56.443217
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -108.474063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.474063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.474063 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -31.385
Base-Backbone interact. energy: -2.099
local terms energy: -57.228888
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -78.437652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.437652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.437652 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -31.045
Base-Backbone interact. energy: -0.751
local terms energy: -46.570680
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.948479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.948479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.948479 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -33.346
Base-Backbone interact. energy: 1.077
local terms energy: -45.963302
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -217.990532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990532 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.727
local terms energy: -69.854775
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -221.838394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.838394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.838394 (E_RNA)
where:
Base-Base interactions energy: -144.977
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.001
local terms energy: -76.860418
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -198.422007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.422007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.422007 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.004
local terms energy: -70.238223
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -166.382016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.382016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.382016 (E_RNA)
where:
Base-Base interactions energy: -104.912
where: short stacking energy: -52.868
Base-Backbone interact. energy: -0.366
local terms energy: -61.103453
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -10.322
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: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -172.881819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.881819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.881819 (E_RNA)
where:
Base-Base interactions energy: -105.031
where: short stacking energy: -50.660
Base-Backbone interact. energy: -0.008
local terms energy: -67.842238
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -160.952890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.952890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.952890 (E_RNA)
where:
Base-Base interactions energy: -103.616
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.141
local terms energy: -57.195469
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -97.565057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.565057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.565057 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -29.400
Base-Backbone interact. energy: -0.149
local terms energy: -56.427593
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -92.786291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.786291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.786291 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -30.274
Base-Backbone interact. energy: -0.117
local terms energy: -46.568152
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -1.577
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -73.039344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.039344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.039344 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.025
local terms energy: -42.311498
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: 3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.940870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.940870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.940870 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.145
local terms energy: -50.299528
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -3.848
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: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -226.467775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.467775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.467775 (E_RNA)
where:
Base-Base interactions energy: -148.459
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.034
local terms energy: -77.975112
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -19.319
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -223.564329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.564329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.564329 (E_RNA)
where:
Base-Base interactions energy: -153.393
where: short stacking energy: -60.856
Base-Backbone interact. energy: -1.044
local terms energy: -69.127353
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -209.340546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.340546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.340546 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.102
local terms energy: -71.841040
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -178.431408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.431408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.431408 (E_RNA)
where:
Base-Base interactions energy: -109.796
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.511
local terms energy: -68.125103
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -175.913322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.913322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.913322 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.008
local terms energy: -71.655769
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -143.986774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.986774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.986774 (E_RNA)
where:
Base-Base interactions energy: -83.800
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.507
local terms energy: -59.679107
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -91.276213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.276213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.276213 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.104
local terms energy: -50.346768
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -101.546380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.546380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.546380 (E_RNA)
where:
Base-Base interactions energy: -41.403
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.142
local terms energy: -60.001636
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -7.403
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -85.415255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.415255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.415255 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.021
local terms energy: -46.466027
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -0.513
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.814382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.814382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.814382 (E_RNA)
where:
Base-Base interactions energy: -27.159
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.133
local terms energy: -53.521458
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -1.561
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -219.361912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.361912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.361912 (E_RNA)
where:
Base-Base interactions energy: -151.448
where: short stacking energy: -71.481
Base-Backbone interact. energy: 1.805
local terms energy: -69.719343
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.625
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: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -213.154122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.154122 (E_RNA)
where:
Base-Base interactions energy: -144.870
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.115
local terms energy: -68.169671
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.804
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -222.920410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.920410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.920410 (E_RNA)
where:
Base-Base interactions energy: -159.518
where: short stacking energy: -62.485
Base-Backbone interact. energy: 0.258
local terms energy: -63.660406
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -181.875058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875058 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.061
local terms energy: -70.504851
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -166.882841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.882841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.882841 (E_RNA)
where:
Base-Base interactions energy: -112.376
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.034
local terms energy: -54.473495
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -2.927
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: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -126.716971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.716971 (E_RNA)
where:
Base-Base interactions energy: -75.246
where: short stacking energy: -35.285
Base-Backbone interact. energy: -1.609
local terms energy: -49.861806
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -108.767953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.767953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.767953 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.079
local terms energy: -63.304008
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -8.191
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: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -87.104096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.104096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.104096 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.146
local terms energy: -47.943102
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: 4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.612775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612775 (E_RNA)
where:
Base-Base interactions energy: -46.997
where: short stacking energy: -32.095
Base-Backbone interact. energy: -0.161
local terms energy: -45.455243
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -9.518
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: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -71.512241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.512241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.512241 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -27.611
Base-Backbone interact. energy: -0.420
local terms energy: -40.431811
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 0.610
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -218.473643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.473643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.473643 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -66.758
Base-Backbone interact. energy: -0.300
local terms energy: -76.638652
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -12.855
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: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -209.815071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815071 (E_RNA)
where:
Base-Base interactions energy: -144.080
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.633
local terms energy: -65.102412
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.945
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: 3, replica: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -190.735801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735801 (E_RNA)
where:
Base-Base interactions energy: -118.168
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.024
local terms energy: -72.543625
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -216.635485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.635485 (E_RNA)
where:
Base-Base interactions energy: -157.837
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.469
local terms energy: -58.329397
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -13.569
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: 98
Temperature: 1.100000
Total energy: -174.903723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.903723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.903723 (E_RNA)
where:
Base-Base interactions energy: -108.989
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.242
local terms energy: -65.672993
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -5.723
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: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -136.596447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.596447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.596447 (E_RNA)
where:
Base-Base interactions energy: -78.403
where: short stacking energy: -48.236
Base-Backbone interact. energy: -0.083
local terms energy: -58.110697
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -7.346
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: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -87.640453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.640453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.640453 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -26.873
Base-Backbone interact. energy: -0.361
local terms energy: -53.177037
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -4.449
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: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -91.400042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.400042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.400042 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -43.832
Base-Backbone interact. energy: 3.224
local terms energy: -50.757462
where:
bonds (distance) C4'-P energy: -6.015
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -1.848
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -83.558114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.558114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.558114 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -23.357
Base-Backbone interact. energy: -0.257
local terms energy: -53.427453
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -5.797
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: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -77.362542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.362542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.362542 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -27.155
Base-Backbone interact. energy: -0.190
local terms energy: -47.223126
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -219.694096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.694096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.694096 (E_RNA)
where:
Base-Base interactions energy: -147.192
where: short stacking energy: -66.086
Base-Backbone interact. energy: -1.057
local terms energy: -71.444998
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -215.221992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.221992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.221992 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.270
local terms energy: -70.665692
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -183.008183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.008183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.008183 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.030
local terms energy: -69.540681
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.317
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: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -221.627780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.627780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.627780 (E_RNA)
where:
Base-Base interactions energy: -149.285
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.267
local terms energy: -72.076322
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -15.874
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: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -152.281337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.281337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.281337 (E_RNA)
where:
Base-Base interactions energy: -94.953
where: short stacking energy: -48.944
Base-Backbone interact. energy: -1.516
local terms energy: -55.812806
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -139.408716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.408716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.408716 (E_RNA)
where:
Base-Base interactions energy: -80.051
where: short stacking energy: -48.970
Base-Backbone interact. energy: -0.259
local terms energy: -59.099324
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -11.504
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -95.747760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747760 (E_RNA)
where:
Base-Base interactions energy: -40.375
where: short stacking energy: -18.703
Base-Backbone interact. energy: -1.092
local terms energy: -54.280380
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 0.699
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: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -90.315935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.315935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.315935 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.280
local terms energy: -57.455466
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -80.061976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.061976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.061976 (E_RNA)
where:
Base-Base interactions energy: -28.912
where: short stacking energy: -28.294
Base-Backbone interact. energy: 0.302
local terms energy: -51.452050
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -1.803
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: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -69.852070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.852070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.852070 (E_RNA)
where:
Base-Base interactions energy: -28.045
where: short stacking energy: -28.045
Base-Backbone interact. energy: 0.144
local terms energy: -41.951900
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -0.890
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: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -215.067140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.067140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.067140 (E_RNA)
where:
Base-Base interactions energy: -141.016
where: short stacking energy: -65.072
Base-Backbone interact. energy: 1.143
local terms energy: -75.194374
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.645
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: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -210.212963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212963 (E_RNA)
where:
Base-Base interactions energy: -143.029
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.079
local terms energy: -67.104293
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -11.631
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: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -223.111565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111565 (E_RNA)
where:
Base-Base interactions energy: -151.187
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.811
local terms energy: -71.113819
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -180.798271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.798271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.798271 (E_RNA)
where:
Base-Base interactions energy: -113.737
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.030
local terms energy: -67.031479
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -149.151036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.151036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.151036 (E_RNA)
where:
Base-Base interactions energy: -107.283
where: short stacking energy: -41.713
Base-Backbone interact. energy: -0.543
local terms energy: -41.325086
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -105.697782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.697782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.697782 (E_RNA)
where:
Base-Base interactions energy: -53.433
where: short stacking energy: -28.929
Base-Backbone interact. energy: -0.162
local terms energy: -52.102609
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -138.393522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.393522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.393522 (E_RNA)
where:
Base-Base interactions energy: -79.472
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.047
local terms energy: -58.873847
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -106.921296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.921296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.921296 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -22.499
Base-Backbone interact. energy: 1.047
local terms energy: -58.634012
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -9.508
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: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -79.207083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.207083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.207083 (E_RNA)
where:
Base-Base interactions energy: -30.705
where: short stacking energy: -30.705
Base-Backbone interact. energy: -0.037
local terms energy: -48.464785
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -92.295214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.295214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.295214 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.142
local terms energy: -51.715648
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -0.355
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: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -210.236113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.236113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.236113 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -53.193
Base-Backbone interact. energy: -0.425
local terms energy: -69.341029
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -214.712564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.712564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.712564 (E_RNA)
where:
Base-Base interactions energy: -137.635
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.002
local terms energy: -77.075759
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -222.531142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.531142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.531142 (E_RNA)
where:
Base-Base interactions energy: -157.194
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.543
local terms energy: -64.794483
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -186.832600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832600 (E_RNA)
where:
Base-Base interactions energy: -109.586
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.275
local terms energy: -76.971676
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -19.638
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -158.813744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813744 (E_RNA)
where:
Base-Base interactions energy: -97.487
where: short stacking energy: -51.900
Base-Backbone interact. energy: -1.026
local terms energy: -60.301068
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -14.073
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: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -188.885114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.885114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.885114 (E_RNA)
where:
Base-Base interactions energy: -128.910
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.451
local terms energy: -59.523821
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -7.502
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -98.663847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663847 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -36.610
Base-Backbone interact. energy: -0.108
local terms energy: -61.945567
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.836
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.102850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.102850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.102850 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.194
local terms energy: -51.216421
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -9.251
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.745
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: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -78.381190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.381190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.381190 (E_RNA)
where:
Base-Base interactions energy: -24.352
where: short stacking energy: -24.130
Base-Backbone interact. energy: -0.566
local terms energy: -53.463032
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -78.504809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.504809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.504809 (E_RNA)
where:
Base-Base interactions energy: -27.162
where: short stacking energy: -26.468
Base-Backbone interact. energy: -0.358
local terms energy: -50.984942
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -231.208817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.208817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.208817 (E_RNA)
where:
Base-Base interactions energy: -152.907
where: short stacking energy: -70.972
Base-Backbone interact. energy: -1.468
local terms energy: -76.834166
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -214.704002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.704002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.704002 (E_RNA)
where:
Base-Base interactions energy: -141.519
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.197
local terms energy: -72.987537
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -223.455688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.455688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455688 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.302
local terms energy: -74.984871
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -191.962689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.962689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962689 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.021
local terms energy: -76.543589
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -191.342246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.342246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.342246 (E_RNA)
where:
Base-Base interactions energy: -135.842
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.478
local terms energy: -55.022496
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -152.030397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.030397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.030397 (E_RNA)
where:
Base-Base interactions energy: -96.625
where: short stacking energy: -54.080
Base-Backbone interact. energy: -0.003
local terms energy: -55.402535
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -131.665460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.665460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.665460 (E_RNA)
where:
Base-Base interactions energy: -68.302
where: short stacking energy: -37.228
Base-Backbone interact. energy: -0.033
local terms energy: -63.330301
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -102.755386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.755386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.755386 (E_RNA)
where:
Base-Base interactions energy: -48.595
where: short stacking energy: -42.454
Base-Backbone interact. energy: -0.102
local terms energy: -54.058323
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -3.309
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: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -77.175578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.175578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.175578 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -32.616
Base-Backbone interact. energy: -0.069
local terms energy: -45.312534
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -6.466
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: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -75.668431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.668431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.668431 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -26.165
Base-Backbone interact. energy: 0.123
local terms energy: -32.249932
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: 5.652
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -216.277013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.277013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.277013 (E_RNA)
where:
Base-Base interactions energy: -142.565
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.132
local terms energy: -73.579907
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -228.154809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.154809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.154809 (E_RNA)
where:
Base-Base interactions energy: -154.501
where: short stacking energy: -69.383
Base-Backbone interact. energy: 0.199
local terms energy: -73.852291
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -205.745015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745015 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.711
local terms energy: -68.665901
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.191
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: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -207.496912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.496912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.496912 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.554
local terms energy: -66.501900
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.904
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -172.463504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.463504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.463504 (E_RNA)
where:
Base-Base interactions energy: -108.764
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.135
local terms energy: -63.564440
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -138.674837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.674837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.674837 (E_RNA)
where:
Base-Base interactions energy: -81.993
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.187
local terms energy: -56.494929
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -157.825536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.825536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.825536 (E_RNA)
where:
Base-Base interactions energy: -97.832
where: short stacking energy: -43.520
Base-Backbone interact. energy: -0.613
local terms energy: -59.380294
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -81.760125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760125 (E_RNA)
where:
Base-Base interactions energy: -34.673
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.144
local terms energy: -46.942786
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.095
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.143238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.143238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.143238 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -28.504
Base-Backbone interact. energy: -0.125
local terms energy: -45.125661
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -80.242639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.242639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.242639 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -33.806
Base-Backbone interact. energy: 1.707
local terms energy: -47.912676
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -6.765
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: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -226.991142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.991142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.991142 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.707
local terms energy: -68.348836
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -214.575804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575804 (E_RNA)
where:
Base-Base interactions energy: -144.956
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.400
local terms energy: -69.219909
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -207.045176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.045176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.045176 (E_RNA)
where:
Base-Base interactions energy: -131.132
where: short stacking energy: -56.069
Base-Backbone interact. energy: -1.872
local terms energy: -74.041401
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -12.595
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: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -203.525525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525525 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -73.979
Base-Backbone interact. energy: 1.186
local terms energy: -65.616466
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -10.929
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -169.939256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.939256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.939256 (E_RNA)
where:
Base-Base interactions energy: -107.527
where: short stacking energy: -52.945
Base-Backbone interact. energy: -0.405
local terms energy: -62.007617
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -166.596031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.596031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.596031 (E_RNA)
where:
Base-Base interactions energy: -105.953
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.223
local terms energy: -60.419680
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -135.599821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.599821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.599821 (E_RNA)
where:
Base-Base interactions energy: -85.973
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.112
local terms energy: -49.513976
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -7.478
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: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -93.583047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583047 (E_RNA)
where:
Base-Base interactions energy: -38.544
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.023
local terms energy: -55.015306
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -86.053890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053890 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.223
local terms energy: -48.314134
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -82.481383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.481383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.481383 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -27.396
Base-Backbone interact. energy: -0.241
local terms energy: -45.332885
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -4.054
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: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -236.740719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.740719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.740719 (E_RNA)
where:
Base-Base interactions energy: -159.389
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.525
local terms energy: -76.827133
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -211.958242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.958242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.958242 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -68.585
Base-Backbone interact. energy: 0.238
local terms energy: -65.530967
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -13.415
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: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -219.308906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.308906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.308906 (E_RNA)
where:
Base-Base interactions energy: -149.715
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.115
local terms energy: -69.479121
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -198.122665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.122665 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.169
local terms energy: -64.876896
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -191.842365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.842365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842365 (E_RNA)
where:
Base-Base interactions energy: -118.661
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.117
local terms energy: -73.064246
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -147.071119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.071119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.071119 (E_RNA)
where:
Base-Base interactions energy: -93.960
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.369
local terms energy: -52.741880
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -124.249160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.249160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.249160 (E_RNA)
where:
Base-Base interactions energy: -70.026
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.103
local terms energy: -54.119871
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -109.470246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470246 (E_RNA)
where:
Base-Base interactions energy: -57.571
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.705
local terms energy: -51.193605
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -9.541
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: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -86.526984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.526984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.526984 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -33.261
Base-Backbone interact. energy: 0.877
local terms energy: -54.143284
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -114.640514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.640514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.640514 (E_RNA)
where:
Base-Base interactions energy: -66.580
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.164
local terms energy: -47.896192
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -5.149
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -234.372860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.372860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.372860 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.361
local terms energy: -73.874694
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -210.514433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.514433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.514433 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.020
local terms energy: -66.570432
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -210.065867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065867 (E_RNA)
where:
Base-Base interactions energy: -141.901
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.005
local terms energy: -68.159845
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -196.678638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.678638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.678638 (E_RNA)
where:
Base-Base interactions energy: -135.985
where: short stacking energy: -47.268
Base-Backbone interact. energy: 1.888
local terms energy: -62.581745
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -198.244068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244068 (E_RNA)
where:
Base-Base interactions energy: -129.886
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.002
local terms energy: -68.355822
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.898
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: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -138.436451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.436451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.436451 (E_RNA)
where:
Base-Base interactions energy: -88.133
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.709
local terms energy: -49.593560
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -4.521
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -83.595191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.595191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.595191 (E_RNA)
where:
Base-Base interactions energy: -30.055
where: short stacking energy: -19.026
Base-Backbone interact. energy: -0.713
local terms energy: -52.826914
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -133.478020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.478020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.478020 (E_RNA)
where:
Base-Base interactions energy: -88.042
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.099
local terms energy: -45.337413
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -132.801410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.801410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.801410 (E_RNA)
where:
Base-Base interactions energy: -75.911
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.279
local terms energy: -56.611478
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.709920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.709920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.709920 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.487
local terms energy: -38.109836
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -231.489957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.489957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.489957 (E_RNA)
where:
Base-Base interactions energy: -160.627
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.432
local terms energy: -70.431190
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -217.763766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763766 (E_RNA)
where:
Base-Base interactions energy: -145.175
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.095
local terms energy: -72.493373
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -213.655324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.655324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.655324 (E_RNA)
where:
Base-Base interactions energy: -144.245
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.037
local terms energy: -69.374019
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -17.105
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: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -204.115814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.115814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.115814 (E_RNA)
where:
Base-Base interactions energy: -140.265
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.993
local terms energy: -62.857090
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -192.838604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.838604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.838604 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -63.630
Base-Backbone interact. energy: 3.619
local terms energy: -64.464908
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.529
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -134.687231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.687231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.687231 (E_RNA)
where:
Base-Base interactions energy: -84.335
where: short stacking energy: -38.827
Base-Backbone interact. energy: 0.650
local terms energy: -51.001885
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -87.965336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.965336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.965336 (E_RNA)
where:
Base-Base interactions energy: -39.035
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.279
local terms energy: -48.650964
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -6.869
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: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -129.894078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.894078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.894078 (E_RNA)
where:
Base-Base interactions energy: -72.337
where: short stacking energy: -44.083
Base-Backbone interact. energy: -0.088
local terms energy: -57.468592
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -127.085646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.085646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.085646 (E_RNA)
where:
Base-Base interactions energy: -74.510
where: short stacking energy: -33.496
Base-Backbone interact. energy: -1.119
local terms energy: -51.455908
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -77.488748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.488748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.488748 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.190
local terms energy: -46.848358
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: 1.471
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -221.402485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402485 (E_RNA)
where:
Base-Base interactions energy: -144.634
where: short stacking energy: -64.101
Base-Backbone interact. energy: -0.268
local terms energy: -76.499987
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -13.607
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: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -223.950876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.950876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.950876 (E_RNA)
where:
Base-Base interactions energy: -152.822
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.172
local terms energy: -70.956456
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -203.563752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.563752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.563752 (E_RNA)
where:
Base-Base interactions energy: -135.705
where: short stacking energy: -60.490
Base-Backbone interact. energy: -0.120
local terms energy: -67.738764
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -215.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292415 (E_RNA)
where:
Base-Base interactions energy: -142.864
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.565
local terms energy: -71.863467
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -198.108917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.108917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.108917 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.493
local terms energy: -58.200985
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -13.750
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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -159.247966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.247966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.247966 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -53.358
Base-Backbone interact. energy: 1.084
local terms energy: -59.451484
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -134.992800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.992800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.992800 (E_RNA)
where:
Base-Base interactions energy: -77.588
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.137
local terms energy: -57.267821
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -85.274459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.274459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.274459 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.124
local terms energy: -54.129423
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -91.417684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.417684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.417684 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.530
local terms energy: -50.771086
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -120.804427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.804427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.804427 (E_RNA)
where:
Base-Base interactions energy: -66.400
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.047
local terms energy: -54.357389
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.477
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: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -235.693955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.693955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.693955 (E_RNA)
where:
Base-Base interactions energy: -163.144
where: short stacking energy: -66.318
Base-Backbone interact. energy: 2.455
local terms energy: -75.005238
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -218.047421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.047421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.047421 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -71.309
Base-Backbone interact. energy: -0.036
local terms energy: -71.105450
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -227.190783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.190783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.190783 (E_RNA)
where:
Base-Base interactions energy: -156.941
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.472
local terms energy: -69.777769
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -207.102509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.102509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.102509 (E_RNA)
where:
Base-Base interactions energy: -134.512
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.082
local terms energy: -72.508165
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -17.460
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: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -215.862599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.862599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.862599 (E_RNA)
where:
Base-Base interactions energy: -137.593
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.431
local terms energy: -77.838334
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.670
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: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -168.139418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.139418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.139418 (E_RNA)
where:
Base-Base interactions energy: -106.882
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.120
local terms energy: -61.137992
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -8.244
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -130.891750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.891750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.891750 (E_RNA)
where:
Base-Base interactions energy: -75.655
where: short stacking energy: -42.212
Base-Backbone interact. energy: -0.172
local terms energy: -55.064509
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -0.622
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: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -87.488932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.488932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.488932 (E_RNA)
where:
Base-Base interactions energy: -33.789
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.096
local terms energy: -53.604162
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -5.720
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -89.487036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.487036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.487036 (E_RNA)
where:
Base-Base interactions energy: -39.228
where: short stacking energy: -21.625
Base-Backbone interact. energy: 1.047
local terms energy: -51.305813
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -6.489
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: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -82.732617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732617 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.031
local terms energy: -49.529947
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -9.021
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -219.531200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531200 (E_RNA)
where:
Base-Base interactions energy: -142.409
where: short stacking energy: -68.679
Base-Backbone interact. energy: -0.004
local terms energy: -77.117805
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -226.757537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757537 (E_RNA)
where:
Base-Base interactions energy: -155.679
where: short stacking energy: -75.376
Base-Backbone interact. energy: -0.101
local terms energy: -70.977810
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -207.408439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408439 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -64.331
Base-Backbone interact. energy: 1.310
local terms energy: -71.083907
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -208.709669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.709669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.709669 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -61.522
Base-Backbone interact. energy: 0.944
local terms energy: -65.279941
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -192.644935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.644935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.644935 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.589
local terms energy: -61.401968
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.834
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -154.322265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.322265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.322265 (E_RNA)
where:
Base-Base interactions energy: -94.231
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.214
local terms energy: -59.876845
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -150.459052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.459052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.459052 (E_RNA)
where:
Base-Base interactions energy: -96.410
where: short stacking energy: -49.414
Base-Backbone interact. energy: 2.088
local terms energy: -56.136473
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -9.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -83.185068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185068 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.349
local terms energy: -54.417728
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -84.195111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.195111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.195111 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.116
local terms energy: -49.904843
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -81.859423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.859423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.859423 (E_RNA)
where:
Base-Base interactions energy: -38.861
where: short stacking energy: -21.220
Base-Backbone interact. energy: 1.592
local terms energy: -44.590980
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -217.611736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.611736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.611736 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.012
local terms energy: -68.173774
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -8.751
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: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -220.090329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.090329 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -65.919
Base-Backbone interact. energy: 0.034
local terms energy: -72.704973
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -211.267432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.267432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.267432 (E_RNA)
where:
Base-Base interactions energy: -143.457
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.446
local terms energy: -67.364765
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -215.342189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.342189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.342189 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -65.056
Base-Backbone interact. energy: -0.413
local terms energy: -71.540988
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -214.636974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.636974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.636974 (E_RNA)
where:
Base-Base interactions energy: -140.170
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.365
local terms energy: -74.101321
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -164.343223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.343223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.343223 (E_RNA)
where:
Base-Base interactions energy: -99.603
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.218
local terms energy: -64.522020
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -161.546087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.546087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.546087 (E_RNA)
where:
Base-Base interactions energy: -97.169
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.453
local terms energy: -63.923492
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -81.642873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.642873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.642873 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -17.668
Base-Backbone interact. energy: -0.082
local terms energy: -44.174523
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -5.640
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -96.262865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.262865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.262865 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -35.433
Base-Backbone interact. energy: 0.472
local terms energy: -52.642984
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -2.746
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -76.333291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.333291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.333291 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.245
local terms energy: -41.364306
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -2.913
flat angles P-C4'-P energy: -3.055
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: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -225.209276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.209276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.209276 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.005
local terms energy: -73.495191
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -207.258940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.258940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.258940 (E_RNA)
where:
Base-Base interactions energy: -128.899
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.001
local terms energy: -78.358866
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -214.940364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.940364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.940364 (E_RNA)
where:
Base-Base interactions energy: -147.131
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.392
local terms energy: -67.418268
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.315
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -202.234228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.234228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.234228 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.080
local terms energy: -66.670437
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.920
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: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -210.763455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.763455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.763455 (E_RNA)
where:
Base-Base interactions energy: -145.197
where: short stacking energy: -67.395
Base-Backbone interact. energy: -1.299
local terms energy: -64.267536
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -170.571338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.571338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.571338 (E_RNA)
where:
Base-Base interactions energy: -103.222
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.486
local terms energy: -66.862997
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -159.477627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.477627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.477627 (E_RNA)
where:
Base-Base interactions energy: -94.621
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.103
local terms energy: -64.753449
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -94.446398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.446398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.446398 (E_RNA)
where:
Base-Base interactions energy: -35.911
where: short stacking energy: -35.911
Base-Backbone interact. energy: -0.168
local terms energy: -58.367232
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -90.295411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.295411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.295411 (E_RNA)
where:
Base-Base interactions energy: -32.598
where: short stacking energy: -32.598
Base-Backbone interact. energy: -0.182
local terms energy: -57.514874
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -9.985
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -76.952815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.952815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.952815 (E_RNA)
where:
Base-Base interactions energy: -29.051
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.161
local terms energy: -47.740806
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -223.122685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.122685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.122685 (E_RNA)
where:
Base-Base interactions energy: -147.361
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.043
local terms energy: -75.719495
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -231.902499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.902499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.902499 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.251
local terms energy: -61.519004
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -205.200523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.200523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.200523 (E_RNA)
where:
Base-Base interactions energy: -141.217
where: short stacking energy: -64.319
Base-Backbone interact. energy: 0.741
local terms energy: -64.724158
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -198.177990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177990 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -55.712
Base-Backbone interact. energy: 2.578
local terms energy: -72.264229
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -14.071
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -197.546139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.546139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.546139 (E_RNA)
where:
Base-Base interactions energy: -129.087
where: short stacking energy: -47.034
Base-Backbone interact. energy: -0.073
local terms energy: -68.386317
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -159.412093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.412093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.412093 (E_RNA)
where:
Base-Base interactions energy: -103.282
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.040
local terms energy: -56.090202
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -9.263
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -149.059629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.059629 (E_RNA)
where:
Base-Base interactions energy: -95.186
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.338
local terms energy: -53.535272
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.884
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: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -101.572118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.572118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.572118 (E_RNA)
where:
Base-Base interactions energy: -56.837
where: short stacking energy: -38.614
Base-Backbone interact. energy: -0.763
local terms energy: -43.971753
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -79.766954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.766954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.766954 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -14.656
Base-Backbone interact. energy: -0.304
local terms energy: -53.311729
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.549
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: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -78.969670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.969670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.969670 (E_RNA)
where:
Base-Base interactions energy: -25.817
where: short stacking energy: -17.492
Base-Backbone interact. energy: -0.127
local terms energy: -53.025904
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -222.473174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.473174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.473174 (E_RNA)
where:
Base-Base interactions energy: -148.560
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.392
local terms energy: -73.521586
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -11.192
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: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -220.463398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.463398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463398 (E_RNA)
where:
Base-Base interactions energy: -148.729
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.016
local terms energy: -71.718641
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -19.885
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: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -217.547840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.547840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.547840 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -68.543
Base-Backbone interact. energy: 0.548
local terms energy: -78.111652
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -181.196093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.196093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.196093 (E_RNA)
where:
Base-Base interactions energy: -117.142
where: short stacking energy: -52.699
Base-Backbone interact. energy: -0.633
local terms energy: -63.420880
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -190.799303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.799303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.799303 (E_RNA)
where:
Base-Base interactions energy: -118.974
where: short stacking energy: -60.258
Base-Backbone interact. energy: 0.662
local terms energy: -72.487503
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -150.738210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.738210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.738210 (E_RNA)
where:
Base-Base interactions energy: -87.132
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.332
local terms energy: -63.274448
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -167.970131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.970131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.970131 (E_RNA)
where:
Base-Base interactions energy: -95.195
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.069
local terms energy: -72.706017
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -18.940
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: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -89.150965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.150965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.150965 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -19.466
Base-Backbone interact. energy: -0.071
local terms energy: -49.899065
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: 0.634
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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -83.226139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.226139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.226139 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -27.357
Base-Backbone interact. energy: 0.852
local terms energy: -42.576376
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -93.367917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.367917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.367917 (E_RNA)
where:
Base-Base interactions energy: -41.960
where: short stacking energy: -40.453
Base-Backbone interact. energy: -0.054
local terms energy: -51.353345
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -10.537
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: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -226.309268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.309268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.309268 (E_RNA)
where:
Base-Base interactions energy: -157.218
where: short stacking energy: -63.974
Base-Backbone interact. energy: 0.676
local terms energy: -69.767572
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -212.787714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.787714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.787714 (E_RNA)
where:
Base-Base interactions energy: -138.926
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.004
local terms energy: -73.858073
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.804
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: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -210.658821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658821 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.106
local terms energy: -67.509455
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -167.025606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.025606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.025606 (E_RNA)
where:
Base-Base interactions energy: -98.932
where: short stacking energy: -47.142
Base-Backbone interact. energy: -0.270
local terms energy: -67.823833
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -185.527414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.527414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.527414 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.088
local terms energy: -60.356099
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -165.875994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.875994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.875994 (E_RNA)
where:
Base-Base interactions energy: -103.811
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.054
local terms energy: -62.011505
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.600
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: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -125.177081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.177081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.177081 (E_RNA)
where:
Base-Base interactions energy: -85.890
where: short stacking energy: -29.678
Base-Backbone interact. energy: -1.473
local terms energy: -37.813457
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: 1.285
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -91.285742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285742 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -29.153
Base-Backbone interact. energy: -0.266
local terms energy: -45.116689
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -7.592
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -87.528806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528806 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -29.194
Base-Backbone interact. energy: -0.926
local terms energy: -50.677690
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.124
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: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -88.944688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.944688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.944688 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -32.033
Base-Backbone interact. energy: -0.199
local terms energy: -48.888373
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -3.790
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -217.143936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.143936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.143936 (E_RNA)
where:
Base-Base interactions energy: -144.832
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.007
local terms energy: -72.305842
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.181
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -228.200512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.200512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.200512 (E_RNA)
where:
Base-Base interactions energy: -160.911
where: short stacking energy: -64.489
Base-Backbone interact. energy: 1.015
local terms energy: -68.304652
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -9.366
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -216.399249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.399249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.399249 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.106
local terms energy: -77.061820
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -17.907
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: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -192.986989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.986989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.986989 (E_RNA)
where:
Base-Base interactions energy: -122.109
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.053
local terms energy: -70.824893
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -180.384005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.384005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.384005 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.359
local terms energy: -60.773528
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -6.950
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: 116
Temperature: 1.150000
Total energy: -146.093983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.093983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.093983 (E_RNA)
where:
Base-Base interactions energy: -87.415
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.098
local terms energy: -58.581372
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -162.128225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.128225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.128225 (E_RNA)
where:
Base-Base interactions energy: -107.243
where: short stacking energy: -42.571
Base-Backbone interact. energy: -1.272
local terms energy: -53.613105
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -84.519936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.519936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.519936 (E_RNA)
where:
Base-Base interactions energy: -40.989
where: short stacking energy: -34.700
Base-Backbone interact. energy: -0.339
local terms energy: -43.192119
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -2.865
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: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -115.644118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.644118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.644118 (E_RNA)
where:
Base-Base interactions energy: -60.740
where: short stacking energy: -35.196
Base-Backbone interact. energy: -0.504
local terms energy: -54.401044
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -74.586067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.586067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.586067 (E_RNA)
where:
Base-Base interactions energy: -26.536
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.720
local terms energy: -47.330679
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -0.715
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -213.431978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431978 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.001
local terms energy: -67.700397
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -232.294335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.294335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.294335 (E_RNA)
where:
Base-Base interactions energy: -166.262
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.335
local terms energy: -65.698111
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -215.370273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.370273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.370273 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -64.759
Base-Backbone interact. energy: -0.004
local terms energy: -72.418400
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -191.811068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.811068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.811068 (E_RNA)
where:
Base-Base interactions energy: -123.480
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.051
local terms energy: -68.279696
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -174.181304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.181304 (E_RNA)
where:
Base-Base interactions energy: -111.361
where: short stacking energy: -49.026
Base-Backbone interact. energy: -0.037
local terms energy: -62.782862
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.445
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: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -158.053472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.053472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.053472 (E_RNA)
where:
Base-Base interactions energy: -96.637
where: short stacking energy: -50.122
Base-Backbone interact. energy: -0.009
local terms energy: -61.407521
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -149.527155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.527155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.527155 (E_RNA)
where:
Base-Base interactions energy: -82.684
where: short stacking energy: -45.354
Base-Backbone interact. energy: -0.424
local terms energy: -66.418508
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -100.748071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.748071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.748071 (E_RNA)
where:
Base-Base interactions energy: -46.392
where: short stacking energy: -43.670
Base-Backbone interact. energy: -0.072
local terms energy: -54.283891
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -7.925
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -83.849044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.849044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.849044 (E_RNA)
where:
Base-Base interactions energy: -26.278
where: short stacking energy: -26.233
Base-Backbone interact. energy: -0.092
local terms energy: -57.478682
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -5.755
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: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -80.966796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.966796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.966796 (E_RNA)
where:
Base-Base interactions energy: -35.932
where: short stacking energy: -35.742
Base-Backbone interact. energy: 1.023
local terms energy: -46.057701
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -5.799
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -241.627629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.627629 (E_RNA)
where:
Base-Base interactions energy: -170.413
where: short stacking energy: -66.103
Base-Backbone interact. energy: -0.166
local terms energy: -71.048288
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -14.634
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -211.322545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.322545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.322545 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.198
local terms energy: -66.377155
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -211.486353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.486353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.486353 (E_RNA)
where:
Base-Base interactions energy: -139.058
where: short stacking energy: -70.025
Base-Backbone interact. energy: 0.300
local terms energy: -72.729217
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -209.109618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.109618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.109618 (E_RNA)
where:
Base-Base interactions energy: -137.531
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.001
local terms energy: -71.577252
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -179.796459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.796459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.796459 (E_RNA)
where:
Base-Base interactions energy: -133.592
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.163
local terms energy: -46.041071
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -157.158717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.158717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.158717 (E_RNA)
where:
Base-Base interactions energy: -95.847
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.143
local terms energy: -61.168946
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -167.060601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.060601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.060601 (E_RNA)
where:
Base-Base interactions energy: -102.706
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.943
local terms energy: -63.412152
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -89.507193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507193 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -31.873
Base-Backbone interact. energy: -0.141
local terms energy: -45.592756
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -79.398545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.398545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.398545 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.206
local terms energy: -46.327151
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -6.235
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -75.397858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.397858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.397858 (E_RNA)
where:
Base-Base interactions energy: -27.565
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.010
local terms energy: -47.823073
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -11.092
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: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -247.031839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.031839 (E_RNA)
where:
Base-Base interactions energy: -172.479
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.550
local terms energy: -74.002778
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -216.842897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842897 (E_RNA)
where:
Base-Base interactions energy: -141.977
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.092
local terms energy: -74.774761
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -202.750464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750464 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.041
local terms energy: -72.176213
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -209.800263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800263 (E_RNA)
where:
Base-Base interactions energy: -138.072
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.001
local terms energy: -71.727252
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -180.627024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.627024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.627024 (E_RNA)
where:
Base-Base interactions energy: -113.688
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.714
local terms energy: -66.225689
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -11.308
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: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -133.736123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.736123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.736123 (E_RNA)
where:
Base-Base interactions energy: -77.171
where: short stacking energy: -47.953
Base-Backbone interact. energy: -0.706
local terms energy: -55.858859
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -145.715958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.715958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.715958 (E_RNA)
where:
Base-Base interactions energy: -82.602
where: short stacking energy: -44.145
Base-Backbone interact. energy: -1.055
local terms energy: -62.059053
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -85.751585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.751585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.751585 (E_RNA)
where:
Base-Base interactions energy: -30.198
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.121
local terms energy: -55.432984
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -78.125352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.125352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.125352 (E_RNA)
where:
Base-Base interactions energy: -33.109
where: short stacking energy: -31.417
Base-Backbone interact. energy: 0.479
local terms energy: -45.495558
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -4.564
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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -76.119536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.119536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.119536 (E_RNA)
where:
Base-Base interactions energy: -33.359
where: short stacking energy: -26.955
Base-Backbone interact. energy: 0.293
local terms energy: -43.053155
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -4.810
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -240.723586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.723586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.723586 (E_RNA)
where:
Base-Base interactions energy: -169.653
where: short stacking energy: -63.623
Base-Backbone interact. energy: 0.009
local terms energy: -71.079811
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.975
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: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -211.179925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.179925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.179925 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -54.654
Base-Backbone interact. energy: 1.349
local terms energy: -70.569470
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -207.663417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.663417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.663417 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -66.913
Base-Backbone interact. energy: -0.038
local terms energy: -70.120533
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -208.659502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.659502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.659502 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -66.314
Base-Backbone interact. energy: -1.706
local terms energy: -73.189220
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -17.560
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: 120
Temperature: 1.100000
Total energy: -169.067255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.067255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.067255 (E_RNA)
where:
Base-Base interactions energy: -106.525
where: short stacking energy: -45.969
Base-Backbone interact. energy: -0.196
local terms energy: -62.346398
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -144.903181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.903181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.903181 (E_RNA)
where:
Base-Base interactions energy: -84.325
where: short stacking energy: -52.112
Base-Backbone interact. energy: 1.130
local terms energy: -61.707949
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -9.574
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -148.843240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.843240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.843240 (E_RNA)
where:
Base-Base interactions energy: -96.792
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.091
local terms energy: -51.960289
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -81.833256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.833256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.833256 (E_RNA)
where:
Base-Base interactions energy: -30.111
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.001
local terms energy: -51.721477
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -81.155592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.155592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.155592 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.166
local terms energy: -40.720104
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -79.383914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.383914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.383914 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -32.408
Base-Backbone interact. energy: -0.157
local terms energy: -46.819000
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -234.364422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.364422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.364422 (E_RNA)
where:
Base-Base interactions energy: -160.167
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.779
local terms energy: -73.418038
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -11.590
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: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -204.306515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.306515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.306515 (E_RNA)
where:
Base-Base interactions energy: -136.657
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.006
local terms energy: -67.643415
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -20.297
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -218.228255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.228255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.228255 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.011
local terms energy: -75.654990
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.149
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: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -196.875627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.875627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875627 (E_RNA)
where:
Base-Base interactions energy: -128.180
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.049
local terms energy: -68.647126
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -183.756416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.756416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.756416 (E_RNA)
where:
Base-Base interactions energy: -121.692
where: short stacking energy: -50.866
Base-Backbone interact. energy: -0.159
local terms energy: -61.905683
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -132.918617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.918617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.918617 (E_RNA)
where:
Base-Base interactions energy: -83.359
where: short stacking energy: -28.514
Base-Backbone interact. energy: 0.313
local terms energy: -49.872100
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -149.860137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.860137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.860137 (E_RNA)
where:
Base-Base interactions energy: -83.606
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.040
local terms energy: -66.213789
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -95.351177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.351177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.351177 (E_RNA)
where:
Base-Base interactions energy: -45.136
where: short stacking energy: -36.480
Base-Backbone interact. energy: -0.160
local terms energy: -50.054800
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -93.379773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379773 (E_RNA)
where:
Base-Base interactions energy: -45.773
where: short stacking energy: -42.357
Base-Backbone interact. energy: -0.016
local terms energy: -47.590234
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -75.650085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650085 (E_RNA)
where:
Base-Base interactions energy: -24.935
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.106
local terms energy: -50.608659
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -9.832
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: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -218.471779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.471779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.471779 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.000
local terms energy: -76.423965
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -231.821244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.821244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.821244 (E_RNA)
where:
Base-Base interactions energy: -162.631
where: short stacking energy: -60.364
Base-Backbone interact. energy: -1.164
local terms energy: -68.026480
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.563
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: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -208.175414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175414 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.350
local terms energy: -69.117568
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -207.545501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.545501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.545501 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.040
local terms energy: -72.897620
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -172.383236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383236 (E_RNA)
where:
Base-Base interactions energy: -107.791
where: short stacking energy: -40.128
Base-Backbone interact. energy: -0.030
local terms energy: -64.561904
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -133.124708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.124708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.124708 (E_RNA)
where:
Base-Base interactions energy: -83.607
where: short stacking energy: -46.633
Base-Backbone interact. energy: 0.960
local terms energy: -50.477478
where:
bonds (distance) C4'-P energy: -6.055
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -5.567
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: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -110.617342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.617342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.617342 (E_RNA)
where:
Base-Base interactions energy: -61.040
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.474
local terms energy: -49.102892
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -10.321
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: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -131.903121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.903121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.903121 (E_RNA)
where:
Base-Base interactions energy: -82.108
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.179
local terms energy: -49.616401
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.018099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.018099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.018099 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -32.104
Base-Backbone interact. energy: 1.065
local terms energy: -54.442869
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -87.568044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568044 (E_RNA)
where:
Base-Base interactions energy: -40.076
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.914
local terms energy: -46.578185
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -0.491
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: 123
Temperature: 0.900000
Total energy: -209.267042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.267042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.267042 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.002
local terms energy: -72.666630
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -227.349274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.349274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.349274 (E_RNA)
where:
Base-Base interactions energy: -152.183
where: short stacking energy: -68.389
Base-Backbone interact. energy: -1.435
local terms energy: -73.730655
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -202.757770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.757770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.757770 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.090
local terms energy: -73.759439
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -207.724900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724900 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -67.374
Base-Backbone interact. energy: -1.248
local terms energy: -68.371295
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -180.850499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.850499 (E_RNA)
where:
Base-Base interactions energy: -116.321
where: short stacking energy: -50.253
Base-Backbone interact. energy: -0.073
local terms energy: -64.456375
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -137.435800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.435800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.435800 (E_RNA)
where:
Base-Base interactions energy: -88.878
where: short stacking energy: -33.578
Base-Backbone interact. energy: -1.368
local terms energy: -47.190189
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.106
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: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -93.394102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.394102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.394102 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -23.917
Base-Backbone interact. energy: -0.583
local terms energy: -56.206552
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -138.368670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.368670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.368670 (E_RNA)
where:
Base-Base interactions energy: -89.541
where: short stacking energy: -44.676
Base-Backbone interact. energy: 1.390
local terms energy: -50.217614
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -7.623
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: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -90.005840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.005840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.005840 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -38.559
Base-Backbone interact. energy: 2.259
local terms energy: -52.029377
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -94.659023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659023 (E_RNA)
where:
Base-Base interactions energy: -47.794
where: short stacking energy: -36.317
Base-Backbone interact. energy: -0.234
local terms energy: -46.630810
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -234.627026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.627026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.627026 (E_RNA)
where:
Base-Base interactions energy: -164.939
where: short stacking energy: -68.140
Base-Backbone interact. energy: -0.324
local terms energy: -69.364385
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.964
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: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -213.922715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.922715 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.102
local terms energy: -72.515622
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.711
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: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -205.203470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.203470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.203470 (E_RNA)
where:
Base-Base interactions energy: -129.638
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.008
local terms energy: -75.557049
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -22.955
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: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -205.205316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.205316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.205316 (E_RNA)
where:
Base-Base interactions energy: -137.423
where: short stacking energy: -64.278
Base-Backbone interact. energy: -0.017
local terms energy: -67.765169
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.655943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655943 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.223
local terms energy: -55.872118
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.034
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: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -137.972228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.972228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.972228 (E_RNA)
where:
Base-Base interactions energy: -77.651
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.263
local terms energy: -60.058622
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -146.050002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.050002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.050002 (E_RNA)
where:
Base-Base interactions energy: -93.038
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.029
local terms energy: -52.983503
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -87.766838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766838 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.203
local terms energy: -50.735731
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -92.127500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.127500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.127500 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -32.892
Base-Backbone interact. energy: -0.047
local terms energy: -44.343541
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -77.493293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.493293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.493293 (E_RNA)
where:
Base-Base interactions energy: -28.234
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.158
local terms energy: -49.101259
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -2.791
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: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -234.809115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.809115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.809115 (E_RNA)
where:
Base-Base interactions energy: -163.357
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.396
local terms energy: -71.056179
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -12.901
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -215.112318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112318 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.004
local terms energy: -74.888315
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -198.005036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.005036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.005036 (E_RNA)
where:
Base-Base interactions energy: -131.821
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.012
local terms energy: -66.171537
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.603
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: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -194.524464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.524464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.524464 (E_RNA)
where:
Base-Base interactions energy: -124.314
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.006
local terms energy: -70.205008
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -197.720816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.720816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.720816 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -56.832
Base-Backbone interact. energy: 0.125
local terms energy: -59.209521
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -153.085591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.085591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.085591 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.185
local terms energy: -55.379941
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -5.849
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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -131.548266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.548266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.548266 (E_RNA)
where:
Base-Base interactions energy: -76.705
where: short stacking energy: -41.779
Base-Backbone interact. energy: -0.718
local terms energy: -54.126150
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -85.189085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189085 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -35.139
Base-Backbone interact. energy: -0.018
local terms energy: -50.031775
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -77.258919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.258919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.258919 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -16.440
Base-Backbone interact. energy: -0.174
local terms energy: -44.006754
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: 1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -78.468867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.468867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.468867 (E_RNA)
where:
Base-Base interactions energy: -34.283
where: short stacking energy: -34.283
Base-Backbone interact. energy: -0.288
local terms energy: -43.897633
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -4.296
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: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -222.892984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892984 (E_RNA)
where:
Base-Base interactions energy: -148.544
where: short stacking energy: -79.671
Base-Backbone interact. energy: -0.001
local terms energy: -74.347939
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -234.455663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.455663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.455663 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -65.209
Base-Backbone interact. energy: 0.133
local terms energy: -68.815963
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -208.255261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.255261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.255261 (E_RNA)
where:
Base-Base interactions energy: -139.993
where: short stacking energy: -61.461
Base-Backbone interact. energy: 0.073
local terms energy: -68.334884
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -195.869807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.869807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.869807 (E_RNA)
where:
Base-Base interactions energy: -130.280
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.007
local terms energy: -65.582766
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -172.456609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.456609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.456609 (E_RNA)
where:
Base-Base interactions energy: -103.997
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.093
local terms energy: -68.366726
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -13.476
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: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -205.382804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.382804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.382804 (E_RNA)
where:
Base-Base interactions energy: -146.518
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.400
local terms energy: -58.465023
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -111.324064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.324064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.324064 (E_RNA)
where:
Base-Base interactions energy: -53.807
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.172
local terms energy: -57.344935
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -134.530616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.530616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.530616 (E_RNA)
where:
Base-Base interactions energy: -80.014
where: short stacking energy: -44.320
Base-Backbone interact. energy: 1.142
local terms energy: -55.657886
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -95.515483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.515483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.515483 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -39.208
Base-Backbone interact. energy: -0.388
local terms energy: -51.730733
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -5.788
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: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -81.942454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.942454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.942454 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.214
local terms energy: -45.259394
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -2.258
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: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -215.699619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699619 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -77.799
Base-Backbone interact. energy: -0.034
local terms energy: -76.328076
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -225.653051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.653051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.653051 (E_RNA)
where:
Base-Base interactions energy: -170.293
where: short stacking energy: -61.217
Base-Backbone interact. energy: 0.140
local terms energy: -55.500157
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -211.875498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.875498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.875498 (E_RNA)
where:
Base-Base interactions energy: -141.267
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.641
local terms energy: -69.966881
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -183.982344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982344 (E_RNA)
where:
Base-Base interactions energy: -114.191
where: short stacking energy: -60.542
Base-Backbone interact. energy: 2.336
local terms energy: -72.127714
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -17.982
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: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -163.043762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.043762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.043762 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.063
local terms energy: -66.611163
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -8.199
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: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -193.713755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713755 (E_RNA)
where:
Base-Base interactions energy: -134.706
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.701
local terms energy: -58.307632
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.070
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: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -131.346999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.346999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.346999 (E_RNA)
where:
Base-Base interactions energy: -77.155
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.107
local terms energy: -54.085117
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -96.355595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.355595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.355595 (E_RNA)
where:
Base-Base interactions energy: -49.464
where: short stacking energy: -25.417
Base-Backbone interact. energy: 0.488
local terms energy: -47.379484
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -9.527
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: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -78.175243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.175243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.175243 (E_RNA)
where:
Base-Base interactions energy: -24.283
where: short stacking energy: -24.283
Base-Backbone interact. energy: -0.007
local terms energy: -53.885288
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -77.708355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.708355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.708355 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.297
local terms energy: -44.105694
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -230.437308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.437308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.437308 (E_RNA)
where:
Base-Base interactions energy: -157.566
where: short stacking energy: -63.067
Base-Backbone interact. energy: 0.202
local terms energy: -73.073347
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -9.892
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: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -216.685712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.685712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.685712 (E_RNA)
where:
Base-Base interactions energy: -139.182
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.332
local terms energy: -77.171243
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -21.645
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: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -197.420541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.420541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.420541 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.128
local terms energy: -64.568501
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.823
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -198.346700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346700 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.493
local terms energy: -59.924526
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -9.912
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: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -191.823425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.823425 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -52.266
Base-Backbone interact. energy: -0.200
local terms energy: -68.239440
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -174.801870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.801870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.801870 (E_RNA)
where:
Base-Base interactions energy: -107.830
where: short stacking energy: -61.872
Base-Backbone interact. energy: -0.031
local terms energy: -66.941692
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -6.947
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: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -92.963355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.963355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.963355 (E_RNA)
where:
Base-Base interactions energy: -35.127
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.206
local terms energy: -57.630864
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -2.156
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: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -144.606604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.606604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.606604 (E_RNA)
where:
Base-Base interactions energy: -84.561
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.003
local terms energy: -60.043209
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -124.950474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.950474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.950474 (E_RNA)
where:
Base-Base interactions energy: -76.582
where: short stacking energy: -41.027
Base-Backbone interact. energy: 0.329
local terms energy: -48.697695
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -93.173461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.173461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.173461 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.321
local terms energy: -56.816474
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -7.526
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: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -229.591322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.591322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.591322 (E_RNA)
where:
Base-Base interactions energy: -159.231
where: short stacking energy: -64.162
Base-Backbone interact. energy: 0.976
local terms energy: -71.337117
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -13.174
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: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -187.832977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.832977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832977 (E_RNA)
where:
Base-Base interactions energy: -113.795
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.120
local terms energy: -73.918876
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -207.909306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.909306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.909306 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.148
local terms energy: -65.175397
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -192.104965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104965 (E_RNA)
where:
Base-Base interactions energy: -127.382
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.091
local terms energy: -64.631457
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -9.609
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -207.629580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.629580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629580 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -56.998
Base-Backbone interact. energy: 2.764
local terms energy: -58.398449
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -9.409
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -172.347677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.347677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.347677 (E_RNA)
where:
Base-Base interactions energy: -108.293
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.114
local terms energy: -63.940694
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -102.326154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.326154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.326154 (E_RNA)
where:
Base-Base interactions energy: -46.835
where: short stacking energy: -42.423
Base-Backbone interact. energy: -0.002
local terms energy: -55.489618
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -13.420
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -137.927676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.927676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.927676 (E_RNA)
where:
Base-Base interactions energy: -78.267
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.244
local terms energy: -59.416398
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -107.345489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.345489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.345489 (E_RNA)
where:
Base-Base interactions energy: -72.011
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.173
local terms energy: -35.161854
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -84.402373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.402373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.402373 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.094
local terms energy: -52.267039
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -233.242466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.242466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.242466 (E_RNA)
where:
Base-Base interactions energy: -166.395
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.491
local terms energy: -66.356286
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.365
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: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -218.351493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.351493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.351493 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.001
local terms energy: -73.075048
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -207.158608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.158608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.158608 (E_RNA)
where:
Base-Base interactions energy: -142.077
where: short stacking energy: -72.493
Base-Backbone interact. energy: 0.263
local terms energy: -65.345129
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -195.840306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.840306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.840306 (E_RNA)
where:
Base-Base interactions energy: -128.125
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.060
local terms energy: -67.654937
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -196.139295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.139295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.139295 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -48.972
Base-Backbone interact. energy: 2.294
local terms energy: -55.578942
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.590
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: 130
Temperature: 1.150000
Total energy: -154.284134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.284134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.284134 (E_RNA)
where:
Base-Base interactions energy: -90.135
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.129
local terms energy: -64.019545
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -130.967108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.967108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.967108 (E_RNA)
where:
Base-Base interactions energy: -67.665
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.395
local terms energy: -62.907568
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -93.138231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.138231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.138231 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.091
local terms energy: -55.419656
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -95.350936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.350936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.350936 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.171
local terms energy: -55.058464
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -90.296238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296238 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.265
local terms energy: -52.725424
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -229.957309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.957309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.957309 (E_RNA)
where:
Base-Base interactions energy: -160.052
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.129
local terms energy: -69.775710
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -207.337737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337737 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.000
local terms energy: -70.281328
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -17.887
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: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -216.281781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.281781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.281781 (E_RNA)
where:
Base-Base interactions energy: -145.221
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.394
local terms energy: -70.666383
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -209.665423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.665423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.665423 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.007
local terms energy: -66.875747
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.393
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: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -184.700500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.700500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.700500 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.434
local terms energy: -57.296383
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -8.953
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -139.074420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.074420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.074420 (E_RNA)
where:
Base-Base interactions energy: -83.474
where: short stacking energy: -26.234
Base-Backbone interact. energy: 0.137
local terms energy: -55.738096
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -5.020
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: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -134.658493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.658493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.658493 (E_RNA)
where:
Base-Base interactions energy: -80.748
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.240
local terms energy: -53.669788
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -97.118262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.118262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.118262 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.093
local terms energy: -51.102554
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -9.096
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: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -77.527585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527585 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.118
local terms energy: -39.402146
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -84.764403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764403 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -21.812
Base-Backbone interact. energy: -0.141
local terms energy: -45.547015
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -9.908
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -240.649061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.649061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.649061 (E_RNA)
where:
Base-Base interactions energy: -165.789
where: short stacking energy: -65.116
Base-Backbone interact. energy: -1.247
local terms energy: -73.613221
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -212.155419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.155419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.155419 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -63.882
Base-Backbone interact. energy: 0.132
local terms energy: -74.299186
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.469
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: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -209.872269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.872269 (E_RNA)
where:
Base-Base interactions energy: -140.276
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.065
local terms energy: -69.531521
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -200.855711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.855711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.855711 (E_RNA)
where:
Base-Base interactions energy: -132.192
where: short stacking energy: -60.193
Base-Backbone interact. energy: 0.551
local terms energy: -69.214115
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.649
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: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -203.391897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.391897 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.015
local terms energy: -64.740730
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -16.197
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -162.788259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.788259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.788259 (E_RNA)
where:
Base-Base interactions energy: -106.177
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.006
local terms energy: -56.605851
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -130.193682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.193682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.193682 (E_RNA)
where:
Base-Base interactions energy: -69.228
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.005
local terms energy: -60.960491
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -93.482140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.482140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.482140 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.293
local terms energy: -49.238118
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -72.387688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.387688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.387688 (E_RNA)
where:
Base-Base interactions energy: -27.857
where: short stacking energy: -10.294
Base-Backbone interact. energy: -1.003
local terms energy: -43.528100
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: 3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.784523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.784523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.784523 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.197
local terms energy: -44.616295
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -3.028
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -227.812459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.812459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.812459 (E_RNA)
where:
Base-Base interactions energy: -156.114
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.331
local terms energy: -71.368094
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.088
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: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -217.240646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.240646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240646 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -66.622
Base-Backbone interact. energy: -0.012
local terms energy: -68.181143
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -203.461270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.461270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.461270 (E_RNA)
where:
Base-Base interactions energy: -132.446
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.053
local terms energy: -70.962828
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -17.467
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: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -208.298711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.298711 (E_RNA)
where:
Base-Base interactions energy: -145.335
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.438
local terms energy: -62.524781
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -186.481162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.481162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.481162 (E_RNA)
where:
Base-Base interactions energy: -127.859
where: short stacking energy: -65.211
Base-Backbone interact. energy: 0.382
local terms energy: -59.005016
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.083
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -186.042933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.042933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.042933 (E_RNA)
where:
Base-Base interactions energy: -133.461
where: short stacking energy: -47.685
Base-Backbone interact. energy: 1.142
local terms energy: -53.723935
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -5.568
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: 133
Temperature: 1.200000
Total energy: -117.790727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.790727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.790727 (E_RNA)
where:
Base-Base interactions energy: -66.448
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.108
local terms energy: -51.233997
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -6.126
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: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -90.183497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183497 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -32.327
Base-Backbone interact. energy: -0.092
local terms energy: -57.764823
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -5.696
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: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -80.715183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.715183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.715183 (E_RNA)
where:
Base-Base interactions energy: -25.354
where: short stacking energy: -25.354
Base-Backbone interact. energy: -0.181
local terms energy: -55.180373
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -79.122346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122346 (E_RNA)
where:
Base-Base interactions energy: -30.509
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.066
local terms energy: -48.546493
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -216.717348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.717348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.717348 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.428
local terms energy: -69.514672
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -17.273
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: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -229.041968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.041968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.041968 (E_RNA)
where:
Base-Base interactions energy: -149.410
where: short stacking energy: -63.729
Base-Backbone interact. energy: 2.217
local terms energy: -81.848331
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -203.963918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.963918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.963918 (E_RNA)
where:
Base-Base interactions energy: -138.314
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.809
local terms energy: -64.840840
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -203.335754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.335754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.335754 (E_RNA)
where:
Base-Base interactions energy: -138.400
where: short stacking energy: -65.612
Base-Backbone interact. energy: 0.414
local terms energy: -65.349424
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -18.083
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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -197.278001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278001 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.147
local terms energy: -61.914888
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -172.485181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.485181 (E_RNA)
where:
Base-Base interactions energy: -104.313
where: short stacking energy: -59.194
Base-Backbone interact. energy: -0.006
local terms energy: -68.165906
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.752613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.752613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.752613 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.193
local terms energy: -57.957809
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.279
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: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -86.242830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242830 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -35.907
Base-Backbone interact. energy: -0.027
local terms energy: -50.308120
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -84.729318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729318 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -33.000
Base-Backbone interact. energy: 0.111
local terms energy: -50.975080
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -82.007421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.007421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.007421 (E_RNA)
where:
Base-Base interactions energy: -30.583
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.540
local terms energy: -50.884353
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -224.407540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.407540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.407540 (E_RNA)
where:
Base-Base interactions energy: -147.007
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.204
local terms energy: -77.196256
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -15.746
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: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -235.261136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.261136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.261136 (E_RNA)
where:
Base-Base interactions energy: -163.521
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.780
local terms energy: -70.960396
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -8.501
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: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -207.650963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.650963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.650963 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.197
local terms energy: -68.990285
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -202.806361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806361 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.019
local terms energy: -72.273671
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -186.698235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.698235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.698235 (E_RNA)
where:
Base-Base interactions energy: -120.984
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.042
local terms energy: -65.672831
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -10.702
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: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -153.405064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.405064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.405064 (E_RNA)
where:
Base-Base interactions energy: -90.194
where: short stacking energy: -44.082
Base-Backbone interact. energy: -1.059
local terms energy: -62.151792
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -8.440
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.756508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.756508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.756508 (E_RNA)
where:
Base-Base interactions energy: -44.399
where: short stacking energy: -41.131
Base-Backbone interact. energy: -0.265
local terms energy: -52.092394
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -6.465
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: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -100.375587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.375587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.375587 (E_RNA)
where:
Base-Base interactions energy: -41.776
where: short stacking energy: -41.776
Base-Backbone interact. energy: 2.846
local terms energy: -61.446415
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -82.446765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.446765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.446765 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.372
local terms energy: -53.405908
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -5.589
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: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -75.257479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.257479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.257479 (E_RNA)
where:
Base-Base interactions energy: -24.089
where: short stacking energy: -21.054
Base-Backbone interact. energy: -0.052
local terms energy: -51.116035
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -0.556
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: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -235.884020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.884020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.884020 (E_RNA)
where:
Base-Base interactions energy: -168.613
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.118
local terms energy: -67.152848
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -16.245
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: 136
Temperature: 0.950000
Total energy: -221.842256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.842256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.842256 (E_RNA)
where:
Base-Base interactions energy: -146.971
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.185
local terms energy: -74.686086
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -215.847519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847519 (E_RNA)
where:
Base-Base interactions energy: -148.669
where: short stacking energy: -74.392
Base-Backbone interact. energy: -0.035
local terms energy: -67.144209
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -195.390928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.390928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.390928 (E_RNA)
where:
Base-Base interactions energy: -127.256
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.259
local terms energy: -67.875862
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -183.550960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550960 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.166
local terms energy: -56.541104
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -12.641
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: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -156.594585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.594585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.594585 (E_RNA)
where:
Base-Base interactions energy: -90.297
where: short stacking energy: -46.485
Base-Backbone interact. energy: -0.215
local terms energy: -66.083391
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -112.584993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.584993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.584993 (E_RNA)
where:
Base-Base interactions energy: -51.256
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.043
local terms energy: -61.285781
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -10.995
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -96.265204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.265204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.265204 (E_RNA)
where:
Base-Base interactions energy: -48.889
where: short stacking energy: -28.379
Base-Backbone interact. energy: 0.391
local terms energy: -47.767511
where:
bonds (distance) C4'-P energy: -5.454
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -6.277
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: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -78.267800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267800 (E_RNA)
where:
Base-Base interactions energy: -21.510
where: short stacking energy: -21.510
Base-Backbone interact. energy: -0.663
local terms energy: -56.094786
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -76.296892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.296892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.296892 (E_RNA)
where:
Base-Base interactions energy: -34.051
where: short stacking energy: -25.819
Base-Backbone interact. energy: -1.435
local terms energy: -40.811229
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -5.945
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -239.883564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.883564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.883564 (E_RNA)
where:
Base-Base interactions energy: -162.186
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.295
local terms energy: -77.402428
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -217.035262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.035262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035262 (E_RNA)
where:
Base-Base interactions energy: -135.888
where: short stacking energy: -66.557
Base-Backbone interact. energy: 0.053
local terms energy: -81.199992
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -197.523334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.523334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.523334 (E_RNA)
where:
Base-Base interactions energy: -134.661
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.298
local terms energy: -62.564252
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -203.846543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.846543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.846543 (E_RNA)
where:
Base-Base interactions energy: -136.351
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.643
local terms energy: -66.852683
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -184.629808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.629808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.629808 (E_RNA)
where:
Base-Base interactions energy: -123.381
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.001
local terms energy: -61.247602
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -0.812
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -156.937494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.937494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.937494 (E_RNA)
where:
Base-Base interactions energy: -98.736
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.166
local terms energy: -58.036402
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -104.703167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.703167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.703167 (E_RNA)
where:
Base-Base interactions energy: -59.851
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.347
local terms energy: -44.505918
where:
bonds (distance) C4'-P energy: -6.059
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -95.578418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.578418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.578418 (E_RNA)
where:
Base-Base interactions energy: -44.264
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.085
local terms energy: -51.228888
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -82.259419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.259419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.259419 (E_RNA)
where:
Base-Base interactions energy: -26.854
where: short stacking energy: -26.854
Base-Backbone interact. energy: -0.185
local terms energy: -55.220156
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -77.471008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.471008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.471008 (E_RNA)
where:
Base-Base interactions energy: -25.349
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.100
local terms energy: -52.022263
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -8.761
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: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -233.708683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.708683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.708683 (E_RNA)
where:
Base-Base interactions energy: -165.369
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.870
local terms energy: -67.469785
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -224.035241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.035241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.035241 (E_RNA)
where:
Base-Base interactions energy: -149.261
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.009
local terms energy: -74.765277
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -197.381846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.381846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.381846 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.734
local terms energy: -67.201195
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -193.108716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108716 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.010
local terms energy: -73.987265
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -172.748756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.748756 (E_RNA)
where:
Base-Base interactions energy: -104.139
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.536
local terms energy: -68.073631
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -187.411343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.411343 (E_RNA)
where:
Base-Base interactions energy: -126.042
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.161
local terms energy: -61.208335
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -93.160406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160406 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.265
local terms energy: -57.236399
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -97.446175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.446175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.446175 (E_RNA)
where:
Base-Base interactions energy: -50.251
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.501
local terms energy: -46.693990
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -3.006
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: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -84.250425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.250425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.250425 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -33.786
Base-Backbone interact. energy: -0.328
local terms energy: -50.136090
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -82.528778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528778 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -16.393
Base-Backbone interact. energy: -0.120
local terms energy: -51.902759
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -236.824359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.824359 (E_RNA)
where:
Base-Base interactions energy: -165.244
where: short stacking energy: -68.521
Base-Backbone interact. energy: -0.388
local terms energy: -71.192075
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -218.232775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.232775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.232775 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.214
local terms energy: -81.571590
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -22.162
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: 139
Temperature: 1.000000
Total energy: -194.301835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.301835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.301835 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -60.306
Base-Backbone interact. energy: -0.398
local terms energy: -65.235330
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -8.941
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: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -185.673352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673352 (E_RNA)
where:
Base-Base interactions energy: -114.467
where: short stacking energy: -63.898
Base-Backbone interact. energy: 0.616
local terms energy: -71.821685
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -21.559
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: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -154.021957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.021957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.021957 (E_RNA)
where:
Base-Base interactions energy: -93.111
where: short stacking energy: -45.709
Base-Backbone interact. energy: -0.080
local terms energy: -60.830854
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -177.632859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632859 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.340
local terms energy: -63.146498
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -97.674993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.674993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.674993 (E_RNA)
where:
Base-Base interactions energy: -42.790
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.032
local terms energy: -54.853107
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.748933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748933 (E_RNA)
where:
Base-Base interactions energy: -36.479
where: short stacking energy: -25.695
Base-Backbone interact. energy: -0.363
local terms energy: -49.906575
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: 0.334
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -89.816608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816608 (E_RNA)
where:
Base-Base interactions energy: -46.278
where: short stacking energy: -36.746
Base-Backbone interact. energy: 1.024
local terms energy: -44.562599
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -90.449040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.449040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.449040 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.013
local terms energy: -51.743682
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.371
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -223.930041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.930041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.930041 (E_RNA)
where:
Base-Base interactions energy: -153.558
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.269
local terms energy: -70.103367
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -236.129719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129719 (E_RNA)
where:
Base-Base interactions energy: -162.583
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.511
local terms energy: -73.035721
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.918
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: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -189.817579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.817579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.817579 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.088
local terms energy: -77.032492
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -198.651395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.651395 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -49.020
Base-Backbone interact. energy: 1.124
local terms energy: -62.901054
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -4.389
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -183.093683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.093683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.093683 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.103
local terms energy: -67.551601
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -153.495052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.495052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.495052 (E_RNA)
where:
Base-Base interactions energy: -98.840
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.111
local terms energy: -54.544498
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -9.331
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: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -96.567389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.567389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.567389 (E_RNA)
where:
Base-Base interactions energy: -49.497
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.056
local terms energy: -47.014579
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -94.249128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.249128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.249128 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -36.751
Base-Backbone interact. energy: 0.306
local terms energy: -57.446276
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -87.434480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.434480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.434480 (E_RNA)
where:
Base-Base interactions energy: -39.722
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.227
local terms energy: -47.485090
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -69.746576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.746576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.746576 (E_RNA)
where:
Base-Base interactions energy: -23.986
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.153
local terms energy: -45.608269
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -218.804084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.804084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.804084 (E_RNA)
where:
Base-Base interactions energy: -144.436
where: short stacking energy: -71.859
Base-Backbone interact. energy: -1.435
local terms energy: -72.933304
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -227.262714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.262714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.262714 (E_RNA)
where:
Base-Base interactions energy: -160.188
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.075
local terms energy: -66.999878
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -183.608389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.608389 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.534
local terms energy: -73.737752
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -186.589398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589398 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -58.007
Base-Backbone interact. energy: 0.141
local terms energy: -69.343550
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -11.024
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: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -178.926835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.926835 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -48.855
Base-Backbone interact. energy: 0.258
local terms energy: -52.949375
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -173.794448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.794448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.794448 (E_RNA)
where:
Base-Base interactions energy: -109.005
where: short stacking energy: -49.062
Base-Backbone interact. energy: -0.056
local terms energy: -64.733760
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -12.649
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -92.134306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134306 (E_RNA)
where:
Base-Base interactions energy: -39.155
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.025
local terms energy: -52.954940
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -9.193
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: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -88.906565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.906565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.906565 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -29.083
Base-Backbone interact. energy: 0.198
local terms energy: -54.698623
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -0.739
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: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -75.277623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.277623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.277623 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -23.684
Base-Backbone interact. energy: -0.086
local terms energy: -46.117605
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -76.307863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.307863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.307863 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.156
local terms energy: -48.173261
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -1.057
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: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.510073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510073 (E_RNA)
where:
Base-Base interactions energy: -163.220
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.176
local terms energy: -74.114625
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -215.665912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.665912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.665912 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.309
local terms energy: -67.084298
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -13.811
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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -187.615102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.615102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.615102 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.013
local terms energy: -68.660290
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -173.629765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.629765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.629765 (E_RNA)
where:
Base-Base interactions energy: -107.829
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.001
local terms energy: -65.799857
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -184.808944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.808944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.808944 (E_RNA)
where:
Base-Base interactions energy: -126.818
where: short stacking energy: -52.092
Base-Backbone interact. energy: 0.562
local terms energy: -58.553531
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -145.684588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.684588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.684588 (E_RNA)
where:
Base-Base interactions energy: -85.814
where: short stacking energy: -44.172
Base-Backbone interact. energy: -0.066
local terms energy: -59.803999
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -95.110767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.110767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.110767 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.238
local terms energy: -57.269155
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -89.803567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.803567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.803567 (E_RNA)
where:
Base-Base interactions energy: -36.488
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.244
local terms energy: -53.071886
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -8.869
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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.138265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.138265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.138265 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -25.075
Base-Backbone interact. energy: -1.233
local terms energy: -41.089992
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -0.512
tors. eta vs tors. theta energy: -2.188
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: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -95.524325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.524325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.524325 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.055
local terms energy: -55.079215
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -231.514713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514713 (E_RNA)
where:
Base-Base interactions energy: -157.063
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.528
local terms energy: -73.923357
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -215.417497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.417497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.417497 (E_RNA)
where:
Base-Base interactions energy: -143.546
where: short stacking energy: -74.025
Base-Backbone interact. energy: -0.089
local terms energy: -71.782439
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -194.468783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.468783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.468783 (E_RNA)
where:
Base-Base interactions energy: -128.267
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.902
local terms energy: -65.299945
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -184.604212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.604212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.604212 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -48.448
Base-Backbone interact. energy: -0.523
local terms energy: -61.346341
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -161.898216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.898216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.898216 (E_RNA)
where:
Base-Base interactions energy: -98.350
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.006
local terms energy: -63.542658
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -155.081501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.081501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.081501 (E_RNA)
where:
Base-Base interactions energy: -95.031
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.105
local terms energy: -59.945113
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -100.687830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687830 (E_RNA)
where:
Base-Base interactions energy: -43.308
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.253
local terms energy: -57.126966
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -97.372475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.372475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.372475 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -38.066
Base-Backbone interact. energy: 2.095
local terms energy: -54.225801
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -107.969046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.969046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.969046 (E_RNA)
where:
Base-Base interactions energy: -60.950
where: short stacking energy: -39.867
Base-Backbone interact. energy: -0.206
local terms energy: -46.812273
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -78.557036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.557036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.557036 (E_RNA)
where:
Base-Base interactions energy: -24.724
where: short stacking energy: -17.435
Base-Backbone interact. energy: -0.118
local terms energy: -53.714735
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -235.869933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.869933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.869933 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -63.798
Base-Backbone interact. energy: 0.435
local terms energy: -72.390796
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -222.234345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.234345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.234345 (E_RNA)
where:
Base-Base interactions energy: -146.604
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.192
local terms energy: -75.438210
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.909
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: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -207.804162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.804162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.804162 (E_RNA)
where:
Base-Base interactions energy: -138.003
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.057
local terms energy: -69.743989
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -16.583
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: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -196.532865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.532865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.532865 (E_RNA)
where:
Base-Base interactions energy: -136.778
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.646
local terms energy: -59.108519
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -8.823
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -179.778502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.778502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.778502 (E_RNA)
where:
Base-Base interactions energy: -114.076
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.236
local terms energy: -65.466515
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -14.421
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -152.845323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.845323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.845323 (E_RNA)
where:
Base-Base interactions energy: -92.295
where: short stacking energy: -43.575
Base-Backbone interact. energy: -0.418
local terms energy: -60.132469
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.411
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: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -94.621879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.621879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.621879 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -38.905
Base-Backbone interact. energy: -0.029
local terms energy: -55.687675
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -6.080
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: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -122.232176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.232176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.232176 (E_RNA)
where:
Base-Base interactions energy: -68.721
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.043
local terms energy: -53.468573
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -78.426326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.426326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.426326 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.268
local terms energy: -43.966533
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -75.621005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.621005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.621005 (E_RNA)
where:
Base-Base interactions energy: -31.386
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.503
local terms energy: -43.732170
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -3.242
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -241.381034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.381034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.381034 (E_RNA)
where:
Base-Base interactions energy: -167.136
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.672
local terms energy: -73.572870
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -13.569
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: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -216.299043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299043 (E_RNA)
where:
Base-Base interactions energy: -146.566
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.075
local terms energy: -69.658243
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -11.867
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -210.754695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.754695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.754695 (E_RNA)
where:
Base-Base interactions energy: -145.708
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.081
local terms energy: -64.965418
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -200.840510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.840510 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -52.425
Base-Backbone interact. energy: -0.586
local terms energy: -61.683838
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -158.726669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.726669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.726669 (E_RNA)
where:
Base-Base interactions energy: -89.480
where: short stacking energy: -51.639
Base-Backbone interact. energy: -0.002
local terms energy: -69.244033
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -149.766209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.766209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.766209 (E_RNA)
where:
Base-Base interactions energy: -102.828
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.227
local terms energy: -46.710893
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -2.733
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -125.673076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.673076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.673076 (E_RNA)
where:
Base-Base interactions energy: -70.375
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.232
local terms energy: -55.065850
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -8.790
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -146.875020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.875020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.875020 (E_RNA)
where:
Base-Base interactions energy: -83.000
where: short stacking energy: -41.796
Base-Backbone interact. energy: -0.079
local terms energy: -63.796156
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -82.345433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.345433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.345433 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -36.259
Base-Backbone interact. energy: -0.574
local terms energy: -45.512552
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -3.439
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: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -92.321720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.321720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.321720 (E_RNA)
where:
Base-Base interactions energy: -47.763
where: short stacking energy: -40.788
Base-Backbone interact. energy: 1.675
local terms energy: -46.233314
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -238.460788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.460788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.460788 (E_RNA)
where:
Base-Base interactions energy: -169.930
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.201
local terms energy: -68.329399
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -218.524263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.524263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.524263 (E_RNA)
where:
Base-Base interactions energy: -144.405
where: short stacking energy: -68.722
Base-Backbone interact. energy: -0.016
local terms energy: -74.102975
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -219.410243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.410243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.410243 (E_RNA)
where:
Base-Base interactions energy: -148.515
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.715
local terms energy: -70.179944
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -206.327938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.327938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.327938 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.102
local terms energy: -67.216763
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -16.244
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: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -156.389915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.389915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.389915 (E_RNA)
where:
Base-Base interactions energy: -98.657
where: short stacking energy: -56.095
Base-Backbone interact. energy: 0.762
local terms energy: -58.494689
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.119
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: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -150.573769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.573769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.573769 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.172
local terms energy: -62.979301
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -150.703958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.703958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.703958 (E_RNA)
where:
Base-Base interactions energy: -84.845
where: short stacking energy: -41.971
Base-Backbone interact. energy: -0.230
local terms energy: -65.629132
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -124.188880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.188880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.188880 (E_RNA)
where:
Base-Base interactions energy: -64.137
where: short stacking energy: -35.675
Base-Backbone interact. energy: 0.310
local terms energy: -60.361860
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -3.125
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: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -76.409465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409465 (E_RNA)
where:
Base-Base interactions energy: -24.018
where: short stacking energy: -21.391
Base-Backbone interact. energy: -0.073
local terms energy: -52.318743
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -83.430095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.430095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.430095 (E_RNA)
where:
Base-Base interactions energy: -34.494
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.609
local terms energy: -48.327239
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -235.804487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.804487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.804487 (E_RNA)
where:
Base-Base interactions energy: -167.474
where: short stacking energy: -71.215
Base-Backbone interact. energy: 0.030
local terms energy: -68.359803
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.024
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: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -212.898276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898276 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.467
local terms energy: -62.840232
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -207.854345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.854345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.854345 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.123
local terms energy: -65.613461
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -201.022016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.022016 (E_RNA)
where:
Base-Base interactions energy: -132.406
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.854
local terms energy: -67.762369
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -166.432569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.432569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432569 (E_RNA)
where:
Base-Base interactions energy: -103.663
where: short stacking energy: -63.883
Base-Backbone interact. energy: -0.113
local terms energy: -62.656178
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -169.117988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.117988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.117988 (E_RNA)
where:
Base-Base interactions energy: -105.554
where: short stacking energy: -51.310
Base-Backbone interact. energy: -2.096
local terms energy: -61.467737
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -8.371
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: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -130.277910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.277910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.277910 (E_RNA)
where:
Base-Base interactions energy: -73.904
where: short stacking energy: -38.666
Base-Backbone interact. energy: -1.227
local terms energy: -55.146729
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -136.489758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.489758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.489758 (E_RNA)
where:
Base-Base interactions energy: -77.248
where: short stacking energy: -39.305
Base-Backbone interact. energy: 0.520
local terms energy: -59.761019
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -84.131410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131410 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -28.513
Base-Backbone interact. energy: 0.122
local terms energy: -49.421291
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.374
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -82.521527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521527 (E_RNA)
where:
Base-Base interactions energy: -37.535
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.381
local terms energy: -44.605266
where:
bonds (distance) C4'-P energy: -6.391
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -5.518
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: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -234.654125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.654125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654125 (E_RNA)
where:
Base-Base interactions energy: -162.616
where: short stacking energy: -65.470
Base-Backbone interact. energy: 0.122
local terms energy: -72.160080
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -215.656858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.656858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.656858 (E_RNA)
where:
Base-Base interactions energy: -150.568
where: short stacking energy: -57.909
Base-Backbone interact. energy: -0.778
local terms energy: -64.310974
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.859
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: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -210.382583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.382583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.382583 (E_RNA)
where:
Base-Base interactions energy: -139.903
where: short stacking energy: -67.982
Base-Backbone interact. energy: -0.011
local terms energy: -70.468073
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -208.304426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.304426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.304426 (E_RNA)
where:
Base-Base interactions energy: -145.249
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.365
local terms energy: -62.690327
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -3.989
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -156.539802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.539802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.539802 (E_RNA)
where:
Base-Base interactions energy: -96.617
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.085
local terms energy: -59.838361
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -163.165014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.165014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.165014 (E_RNA)
where:
Base-Base interactions energy: -106.606
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.221
local terms energy: -56.337654
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -126.310870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.310870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.310870 (E_RNA)
where:
Base-Base interactions energy: -72.084
where: short stacking energy: -38.317
Base-Backbone interact. energy: -0.318
local terms energy: -53.909093
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -139.787647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.787647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.787647 (E_RNA)
where:
Base-Base interactions energy: -79.679
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.233
local terms energy: -59.875376
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -74.543931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.543931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.543931 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.146
local terms energy: -41.410973
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -73.864681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.864681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.864681 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -16.888
Base-Backbone interact. energy: -0.251
local terms energy: -39.687227
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -2.109
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: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -234.011783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.011783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.011783 (E_RNA)
where:
Base-Base interactions energy: -151.066
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.811
local terms energy: -82.134947
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -18.797
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: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -210.907156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.907156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907156 (E_RNA)
where:
Base-Base interactions energy: -149.425
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.779
local terms energy: -60.703523
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -9.882
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: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -209.218382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.218382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.218382 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -60.942
Base-Backbone interact. energy: 2.169
local terms energy: -72.979084
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -210.398768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.398768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.398768 (E_RNA)
where:
Base-Base interactions energy: -141.736
where: short stacking energy: -65.992
Base-Backbone interact. energy: 0.233
local terms energy: -68.896399
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -171.860798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.860798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.860798 (E_RNA)
where:
Base-Base interactions energy: -104.027
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.001
local terms energy: -67.833221
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -165.412007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.412007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.412007 (E_RNA)
where:
Base-Base interactions energy: -99.627
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.060
local terms energy: -65.725079
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -16.237
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: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -182.665764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.665764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.665764 (E_RNA)
where:
Base-Base interactions energy: -115.014
where: short stacking energy: -55.533
Base-Backbone interact. energy: 0.120
local terms energy: -67.771981
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -154.965441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.965441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.965441 (E_RNA)
where:
Base-Base interactions energy: -102.469
where: short stacking energy: -51.697
Base-Backbone interact. energy: -0.172
local terms energy: -52.324968
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -95.712025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712025 (E_RNA)
where:
Base-Base interactions energy: -56.454
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.121
local terms energy: -39.137708
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -79.729061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729061 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.154
local terms energy: -44.598369
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -238.364423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.364423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.364423 (E_RNA)
where:
Base-Base interactions energy: -164.192
where: short stacking energy: -70.967
Base-Backbone interact. energy: -0.194
local terms energy: -73.978939
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -196.843117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.843117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.843117 (E_RNA)
where:
Base-Base interactions energy: -134.116
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.326
local terms energy: -62.401017
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -8.203
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: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -212.855918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.855918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.855918 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.002
local terms energy: -76.153263
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -206.251605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.251605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.251605 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.061
local terms energy: -64.282090
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -153.513032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.513032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.513032 (E_RNA)
where:
Base-Base interactions energy: -98.539
where: short stacking energy: -51.065
Base-Backbone interact. energy: 0.046
local terms energy: -55.019982
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -144.720950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.720950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.720950 (E_RNA)
where:
Base-Base interactions energy: -98.096
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.822
local terms energy: -45.803162
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -5.255
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: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -181.773792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.773792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.773792 (E_RNA)
where:
Base-Base interactions energy: -114.213
where: short stacking energy: -48.134
Base-Backbone interact. energy: -0.017
local terms energy: -67.543286
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -127.359479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.359479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.359479 (E_RNA)
where:
Base-Base interactions energy: -75.628
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.059
local terms energy: -51.672449
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -89.691658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691658 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.397
local terms energy: -52.811189
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -6.023
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -72.538806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.538806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.538806 (E_RNA)
where:
Base-Base interactions energy: -27.699
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.169
local terms energy: -44.671142
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -233.887534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.887534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.887534 (E_RNA)
where:
Base-Base interactions energy: -160.343
where: short stacking energy: -68.597
Base-Backbone interact. energy: -1.025
local terms energy: -72.519371
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -212.560717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.560717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.560717 (E_RNA)
where:
Base-Base interactions energy: -148.502
where: short stacking energy: -59.290
Base-Backbone interact. energy: -0.544
local terms energy: -63.514654
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.044
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -206.343145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.343145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.343145 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -62.014
Base-Backbone interact. energy: -0.062
local terms energy: -64.443818
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -3.224
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: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -204.200717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.200717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.200717 (E_RNA)
where:
Base-Base interactions energy: -137.073
where: short stacking energy: -63.214
Base-Backbone interact. energy: -0.474
local terms energy: -66.653197
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -142.962351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.962351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.962351 (E_RNA)
where:
Base-Base interactions energy: -88.560
where: short stacking energy: -46.470
Base-Backbone interact. energy: -0.902
local terms energy: -53.499927
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -176.588682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.588682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.588682 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -60.090
Base-Backbone interact. energy: -1.111
local terms energy: -59.733743
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -4.584
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: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -137.827870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.827870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.827870 (E_RNA)
where:
Base-Base interactions energy: -82.093
where: short stacking energy: -40.900
Base-Backbone interact. energy: -0.528
local terms energy: -55.206956
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -113.098076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.098076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.098076 (E_RNA)
where:
Base-Base interactions energy: -64.018
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.175
local terms energy: -48.904802
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -80.956375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956375 (E_RNA)
where:
Base-Base interactions energy: -25.210
where: short stacking energy: -19.700
Base-Backbone interact. energy: -0.610
local terms energy: -55.136214
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -79.984659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.984659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.984659 (E_RNA)
where:
Base-Base interactions energy: -25.484
where: short stacking energy: -22.686
Base-Backbone interact. energy: -0.103
local terms energy: -54.397625
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -231.846816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846816 (E_RNA)
where:
Base-Base interactions energy: -159.755
where: short stacking energy: -65.291
Base-Backbone interact. energy: -0.504
local terms energy: -71.588488
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.217
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: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -213.484880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.484880 (E_RNA)
where:
Base-Base interactions energy: -147.556
where: short stacking energy: -52.385
Base-Backbone interact. energy: -0.881
local terms energy: -65.048148
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -198.490475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.490475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.490475 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.036
local terms energy: -67.053839
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -196.837679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.837679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837679 (E_RNA)
where:
Base-Base interactions energy: -127.989
where: short stacking energy: -62.099
Base-Backbone interact. energy: -0.046
local terms energy: -68.802849
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -199.920427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.920427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.920427 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.133
local terms energy: -75.517938
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -148.031490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.031490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.031490 (E_RNA)
where:
Base-Base interactions energy: -90.518
where: short stacking energy: -45.322
Base-Backbone interact. energy: -0.437
local terms energy: -57.076901
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -7.663
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: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -112.152524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.152524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.152524 (E_RNA)
where:
Base-Base interactions energy: -61.811
where: short stacking energy: -37.801
Base-Backbone interact. energy: 1.579
local terms energy: -51.919752
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -91.352294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352294 (E_RNA)
where:
Base-Base interactions energy: -41.933
where: short stacking energy: -26.536
Base-Backbone interact. energy: 1.583
local terms energy: -51.002508
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -78.037417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.037417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.037417 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -16.992
Base-Backbone interact. energy: -1.208
local terms energy: -48.696597
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -74.414492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.414492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.414492 (E_RNA)
where:
Base-Base interactions energy: -23.252
where: short stacking energy: -21.801
Base-Backbone interact. energy: 0.376
local terms energy: -51.538955
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -234.456300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.456300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.456300 (E_RNA)
where:
Base-Base interactions energy: -159.980
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.211
local terms energy: -74.264713
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.135
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: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -211.636373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636373 (E_RNA)
where:
Base-Base interactions energy: -149.206
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.445
local terms energy: -61.985718
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -205.531435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531435 (E_RNA)
where:
Base-Base interactions energy: -127.371
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.007
local terms energy: -78.152887
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -208.414428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414428 (E_RNA)
where:
Base-Base interactions energy: -145.364
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.004
local terms energy: -63.046211
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.690
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: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -201.659177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.659177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.659177 (E_RNA)
where:
Base-Base interactions energy: -137.893
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.134
local terms energy: -63.632196
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -146.986036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.986036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.986036 (E_RNA)
where:
Base-Base interactions energy: -81.614
where: short stacking energy: -42.277
Base-Backbone interact. energy: -0.309
local terms energy: -65.063128
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -104.924629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.924629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.924629 (E_RNA)
where:
Base-Base interactions energy: -54.296
where: short stacking energy: -24.713
Base-Backbone interact. energy: -0.194
local terms energy: -50.435084
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -87.536259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536259 (E_RNA)
where:
Base-Base interactions energy: -34.811
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.045
local terms energy: -52.680152
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -7.253
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: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -80.279818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279818 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -28.840
Base-Backbone interact. energy: 1.807
local terms energy: -43.041935
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -2.643
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: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -79.564032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.564032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.564032 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -29.765
Base-Backbone interact. energy: -1.297
local terms energy: -44.231749
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -8.785
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.493
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: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -236.026525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.026525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.026525 (E_RNA)
where:
Base-Base interactions energy: -160.060
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.201
local terms energy: -75.765095
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -203.552227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.552227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.552227 (E_RNA)
where:
Base-Base interactions energy: -133.781
where: short stacking energy: -57.373
Base-Backbone interact. energy: -1.145
local terms energy: -68.626342
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -206.644996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.644996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.644996 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -70.811
Base-Backbone interact. energy: -0.124
local terms energy: -73.210263
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -194.802757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802757 (E_RNA)
where:
Base-Base interactions energy: -131.458
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.002
local terms energy: -63.342872
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.425
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: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -193.341153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.341153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.341153 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.103
local terms energy: -67.402190
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -149.337469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.337469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.337469 (E_RNA)
where:
Base-Base interactions energy: -89.196
where: short stacking energy: -41.800
Base-Backbone interact. energy: -0.289
local terms energy: -59.852318
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.614
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: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -127.295199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.295199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.295199 (E_RNA)
where:
Base-Base interactions energy: -54.713
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.509
local terms energy: -72.073884
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -82.151282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.151282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.151282 (E_RNA)
where:
Base-Base interactions energy: -27.593
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.060
local terms energy: -54.498850
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -125.770754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.770754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.770754 (E_RNA)
where:
Base-Base interactions energy: -76.841
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.247
local terms energy: -48.682777
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -5.650
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: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -78.667980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667980 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -29.430
Base-Backbone interact. energy: -0.393
local terms energy: -43.443246
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -0.905
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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -234.203670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.203670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.203670 (E_RNA)
where:
Base-Base interactions energy: -163.099
where: short stacking energy: -65.096
Base-Backbone interact. energy: -0.243
local terms energy: -70.861776
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -204.911328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911328 (E_RNA)
where:
Base-Base interactions energy: -132.240
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.089
local terms energy: -72.582839
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -17.560
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -190.384600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384600 (E_RNA)
where:
Base-Base interactions energy: -130.421
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.588
local terms energy: -59.375990
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -13.128
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: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -199.233246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.233246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.233246 (E_RNA)
where:
Base-Base interactions energy: -130.820
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.010
local terms energy: -68.403366
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.369
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: 155
Temperature: 1.100000
Total energy: -198.763314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763314 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -58.011
Base-Backbone interact. energy: -0.127
local terms energy: -61.618428
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -173.465750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.465750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.465750 (E_RNA)
where:
Base-Base interactions energy: -106.332
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.102
local terms energy: -67.031883
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -114.759169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.759169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.759169 (E_RNA)
where:
Base-Base interactions energy: -60.710
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.117
local terms energy: -53.932043
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -134.056800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.056800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.056800 (E_RNA)
where:
Base-Base interactions energy: -80.598
where: short stacking energy: -47.240
Base-Backbone interact. energy: -0.078
local terms energy: -53.381351
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -88.574869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.574869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.574869 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.264
Base-Backbone interact. energy: 2.450
local terms energy: -53.761154
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -2.023
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: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -76.128602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.128602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.128602 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -32.606
Base-Backbone interact. energy: -0.239
local terms energy: -39.483259
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -244.896425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.896425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.896425 (E_RNA)
where:
Base-Base interactions energy: -170.665
where: short stacking energy: -69.937
Base-Backbone interact. energy: -0.132
local terms energy: -74.098440
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -198.913876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913876 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.063
local terms energy: -67.973985
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -8.578
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: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -210.551907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551907 (E_RNA)
where:
Base-Base interactions energy: -141.249
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.490
local terms energy: -68.812956
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -198.858777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858777 (E_RNA)
where:
Base-Base interactions energy: -130.562
where: short stacking energy: -70.253
Base-Backbone interact. energy: -0.262
local terms energy: -68.035381
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.358
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -186.882729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.882729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.882729 (E_RNA)
where:
Base-Base interactions energy: -118.401
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.278
local terms energy: -68.203880
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.439
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: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -184.166527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.166527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.166527 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.007
local terms energy: -71.137914
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -159.394626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.394626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.394626 (E_RNA)
where:
Base-Base interactions energy: -92.966
where: short stacking energy: -51.468
Base-Backbone interact. energy: -0.012
local terms energy: -66.416981
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -14.155
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: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -87.432794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.432794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.432794 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.046
local terms energy: -53.859652
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -75.186610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.186610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.186610 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.885
local terms energy: -41.609935
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -0.428
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -78.743358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.743358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.743358 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -20.505
Base-Backbone interact. energy: -0.403
local terms energy: -42.247170
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -5.584
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: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -237.598936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.598936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.598936 (E_RNA)
where:
Base-Base interactions energy: -170.402
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.751
local terms energy: -66.445436
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -211.113702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.113702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.113702 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.072
local terms energy: -73.530255
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -196.731534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731534 (E_RNA)
where:
Base-Base interactions energy: -136.380
where: short stacking energy: -65.548
Base-Backbone interact. energy: 1.245
local terms energy: -61.596853
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -187.614134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.614134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.614134 (E_RNA)
where:
Base-Base interactions energy: -121.499
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.011
local terms energy: -66.103532
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -192.411341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.411341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.411341 (E_RNA)
where:
Base-Base interactions energy: -122.536
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.535
local terms energy: -69.340852
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.308
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: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -160.347849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.347849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.347849 (E_RNA)
where:
Base-Base interactions energy: -100.751
where: short stacking energy: -52.208
Base-Backbone interact. energy: -1.021
local terms energy: -58.575188
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -174.814992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.814992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.814992 (E_RNA)
where:
Base-Base interactions energy: -113.308
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.582
local terms energy: -60.925079
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -6.698
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: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -84.331462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331462 (E_RNA)
where:
Base-Base interactions energy: -30.217
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.027
local terms energy: -54.087419
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -7.271
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: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -71.581786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.581786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.581786 (E_RNA)
where:
Base-Base interactions energy: -21.207
where: short stacking energy: -18.195
Base-Backbone interact. energy: 0.291
local terms energy: -50.665467
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -74.502562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.502562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.502562 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -31.260
Base-Backbone interact. energy: -0.080
local terms energy: -43.162326
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -1.850
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: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -217.175386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175386 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -66.459
Base-Backbone interact. energy: -0.001
local terms energy: -72.656893
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -226.911955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.911955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.911955 (E_RNA)
where:
Base-Base interactions energy: -155.966
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.685
local terms energy: -70.261016
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.786
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: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -190.312596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.312596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312596 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -49.135
Base-Backbone interact. energy: -0.365
local terms energy: -59.575582
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -7.446
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: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -199.770268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.770268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.770268 (E_RNA)
where:
Base-Base interactions energy: -121.553
where: short stacking energy: -64.488
Base-Backbone interact. energy: -0.004
local terms energy: -78.212600
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -200.567809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.567809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.567809 (E_RNA)
where:
Base-Base interactions energy: -133.218
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.095
local terms energy: -67.254565
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.426
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: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -165.120024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.120024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.120024 (E_RNA)
where:
Base-Base interactions energy: -107.167
where: short stacking energy: -52.571
Base-Backbone interact. energy: -0.102
local terms energy: -57.851398
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -11.055
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -93.239020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.239020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.239020 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -41.901
Base-Backbone interact. energy: -0.346
local terms energy: -47.760098
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -7.302
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -165.072295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.072295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.072295 (E_RNA)
where:
Base-Base interactions energy: -106.222
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.276
local terms energy: -58.574796
where:
bonds (distance) C4'-P energy: -6.300
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -81.548413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548413 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.315
local terms energy: -51.560362
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -73.677665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677665 (E_RNA)
where:
Base-Base interactions energy: -28.644
where: short stacking energy: -26.041
Base-Backbone interact. energy: -0.220
local terms energy: -44.813489
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -223.668012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668012 (E_RNA)
where:
Base-Base interactions energy: -154.473
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.020
local terms energy: -69.175062
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.824339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.824339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.824339 (E_RNA)
where:
Base-Base interactions energy: -164.073
where: short stacking energy: -68.634
Base-Backbone interact. energy: 1.444
local terms energy: -68.195502
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -10.902
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: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -194.727335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.727335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.727335 (E_RNA)
where:
Base-Base interactions energy: -130.749
where: short stacking energy: -51.758
Base-Backbone interact. energy: -0.400
local terms energy: -63.578260
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -189.199431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.199431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.199431 (E_RNA)
where:
Base-Base interactions energy: -127.495
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.684
local terms energy: -61.020744
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.412
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: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -196.973993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.973993 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.186
local terms energy: -65.155763
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -16.073
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -159.972626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.972626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.972626 (E_RNA)
where:
Base-Base interactions energy: -100.633
where: short stacking energy: -53.985
Base-Backbone interact. energy: -0.202
local terms energy: -59.138058
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.527
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -86.838489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838489 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -26.093
Base-Backbone interact. energy: 0.090
local terms energy: -53.779349
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -143.351527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.351527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.351527 (E_RNA)
where:
Base-Base interactions energy: -93.989
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.019
local terms energy: -49.343491
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -84.970694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.970694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.970694 (E_RNA)
where:
Base-Base interactions energy: -33.300
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.749
local terms energy: -50.921536
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -3.511
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: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -82.943311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943311 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.556
Base-Backbone interact. energy: -0.178
local terms energy: -49.208699
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -2.510
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -236.983457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.983457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.983457 (E_RNA)
where:
Base-Base interactions energy: -172.168
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.156
local terms energy: -64.659793
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -218.128334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.128334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.128334 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.129
local terms energy: -63.331139
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -4.820
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: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -204.102572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.102572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.102572 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.002
local terms energy: -69.405006
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -195.064476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.064476 (E_RNA)
where:
Base-Base interactions energy: -132.218
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.608
local terms energy: -62.238906
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -7.054
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: 160
Temperature: 1.100000
Total energy: -157.431818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.431818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.431818 (E_RNA)
where:
Base-Base interactions energy: -100.894
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.226
local terms energy: -56.311510
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -182.168963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.168963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.168963 (E_RNA)
where:
Base-Base interactions energy: -123.139
where: short stacking energy: -52.359
Base-Backbone interact. energy: 0.254
local terms energy: -59.283755
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -89.132922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.132922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.132922 (E_RNA)
where:
Base-Base interactions energy: -41.183
where: short stacking energy: -37.472
Base-Backbone interact. energy: -0.143
local terms energy: -47.806935
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -0.340
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -77.280477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280477 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.209
local terms energy: -44.590140
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -7.574
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -81.710089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.710089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.710089 (E_RNA)
where:
Base-Base interactions energy: -36.719
where: short stacking energy: -32.103
Base-Backbone interact. energy: 1.929
local terms energy: -46.919182
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -86.706994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.706994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.706994 (E_RNA)
where:
Base-Base interactions energy: -53.901
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.225
local terms energy: -32.580512
where:
bonds (distance) C4'-P energy: -7.405
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -232.030852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.030852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.030852 (E_RNA)
where:
Base-Base interactions energy: -163.954
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.244
local terms energy: -67.833565
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -205.036239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.036239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.036239 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.042
local terms energy: -66.716048
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -203.128603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.128603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.128603 (E_RNA)
where:
Base-Base interactions energy: -135.334
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.011
local terms energy: -67.783754
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -181.428960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.428960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.428960 (E_RNA)
where:
Base-Base interactions energy: -124.718
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.606
local terms energy: -56.104669
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -143.840018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.840018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.840018 (E_RNA)
where:
Base-Base interactions energy: -80.494
where: short stacking energy: -51.446
Base-Backbone interact. energy: -0.101
local terms energy: -63.245534
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -9.585
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -186.766034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.766034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.766034 (E_RNA)
where:
Base-Base interactions energy: -121.837
where: short stacking energy: -43.276
Base-Backbone interact. energy: -0.235
local terms energy: -64.694685
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -10.132
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: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -101.371380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.371380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.371380 (E_RNA)
where:
Base-Base interactions energy: -43.171
where: short stacking energy: -43.171
Base-Backbone interact. energy: -0.112
local terms energy: -58.088220
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -93.708885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.708885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.708885 (E_RNA)
where:
Base-Base interactions energy: -37.432
where: short stacking energy: -37.432
Base-Backbone interact. energy: -0.190
local terms energy: -56.087062
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -86.429140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429140 (E_RNA)
where:
Base-Base interactions energy: -36.868
where: short stacking energy: -34.343
Base-Backbone interact. energy: -0.401
local terms energy: -49.160829
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -3.191
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -81.834280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834280 (E_RNA)
where:
Base-Base interactions energy: -26.885
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.065
local terms energy: -54.884659
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -2.114
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -237.801569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.801569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.801569 (E_RNA)
where:
Base-Base interactions energy: -167.152
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.113
local terms energy: -70.536529
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -207.301509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.301509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301509 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -60.198
Base-Backbone interact. energy: -0.072
local terms energy: -68.987600
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -15.296
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: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -196.542429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.542429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.542429 (E_RNA)
where:
Base-Base interactions energy: -134.131
where: short stacking energy: -50.372
Base-Backbone interact. energy: 0.339
local terms energy: -62.750531
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -8.315
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: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -197.851734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.851734 (E_RNA)
where:
Base-Base interactions energy: -123.682
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.137
local terms energy: -74.032623
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.175
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: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -193.627951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.627951 (E_RNA)
where:
Base-Base interactions energy: -128.887
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.005
local terms energy: -64.736004
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -6.533
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: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -133.266724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.266724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.266724 (E_RNA)
where:
Base-Base interactions energy: -79.563
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.037
local terms energy: -53.665987
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -3.001
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -95.423273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423273 (E_RNA)
where:
Base-Base interactions energy: -43.887
where: short stacking energy: -24.025
Base-Backbone interact. energy: 0.438
local terms energy: -51.974439
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -4.390
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: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -88.878125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.878125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.878125 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.429
local terms energy: -51.288645
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -97.165571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.165571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.165571 (E_RNA)
where:
Base-Base interactions energy: -43.222
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.761
local terms energy: -53.182471
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.978068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.978068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.978068 (E_RNA)
where:
Base-Base interactions energy: -24.513
where: short stacking energy: -21.425
Base-Backbone interact. energy: -0.858
local terms energy: -53.607476
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -7.533
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -235.518796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.518796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.518796 (E_RNA)
where:
Base-Base interactions energy: -164.968
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.547
local terms energy: -70.003762
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -194.570725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.570725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.570725 (E_RNA)
where:
Base-Base interactions energy: -130.370
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.163
local terms energy: -64.038112
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -208.035215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.035215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.035215 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.345
local terms energy: -62.004174
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -186.460504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.460504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.460504 (E_RNA)
where:
Base-Base interactions energy: -117.295
where: short stacking energy: -45.466
Base-Backbone interact. energy: -0.703
local terms energy: -68.461668
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -202.451586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.451586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.451586 (E_RNA)
where:
Base-Base interactions energy: -128.920
where: short stacking energy: -58.885
Base-Backbone interact. energy: 0.124
local terms energy: -73.655347
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -11.954
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: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -178.303480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.303480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.303480 (E_RNA)
where:
Base-Base interactions energy: -109.382
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.765
local terms energy: -68.156610
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -105.619548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.619548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.619548 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.147
local terms energy: -51.604327
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -4.693
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: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -84.727409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.727409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.727409 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -27.619
Base-Backbone interact. energy: 0.034
local terms energy: -57.141540
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.177291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.177291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.177291 (E_RNA)
where:
Base-Base interactions energy: -30.408
where: short stacking energy: -28.897
Base-Backbone interact. energy: -0.197
local terms energy: -52.571674
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -4.016
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: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.771158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.771158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.771158 (E_RNA)
where:
Base-Base interactions energy: -36.025
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.064
local terms energy: -45.681611
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -0.833
tors. eta vs tors. theta energy: -9.268
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -234.362903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.362903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.362903 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.590
local terms energy: -75.351053
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -209.196687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.196687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.196687 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.856
local terms energy: -67.709086
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -198.163376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163376 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.313
local terms energy: -59.624859
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -6.366
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: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -179.804033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.804033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.804033 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.033
local terms energy: -60.215562
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -197.021007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.021007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.021007 (E_RNA)
where:
Base-Base interactions energy: -125.683
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.615
local terms energy: -70.722208
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -17.064
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: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -169.223978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.223978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223978 (E_RNA)
where:
Base-Base interactions energy: -104.238
where: short stacking energy: -51.844
Base-Backbone interact. energy: 1.294
local terms energy: -66.280391
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -126.491680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.491680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.491680 (E_RNA)
where:
Base-Base interactions energy: -84.814
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.120
local terms energy: -41.557632
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -80.162145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162145 (E_RNA)
where:
Base-Base interactions energy: -29.123
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.101
local terms energy: -50.938608
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -3.225
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: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -85.036278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.036278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.036278 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.000
local terms energy: -53.856457
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -122.867847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.867847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.867847 (E_RNA)
where:
Base-Base interactions energy: -70.768
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.066
local terms energy: -52.033694
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -5.791
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -232.125770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.125770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.125770 (E_RNA)
where:
Base-Base interactions energy: -164.710
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.326
local terms energy: -67.089798
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -204.526945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.526945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.526945 (E_RNA)
where:
Base-Base interactions energy: -136.944
where: short stacking energy: -58.643
Base-Backbone interact. energy: -0.333
local terms energy: -67.249633
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -211.277448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.277448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.277448 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.107
local terms energy: -62.910210
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -11.149
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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -200.492463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.492463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.492463 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.601
local terms energy: -64.929021
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -181.769978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.769978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.769978 (E_RNA)
where:
Base-Base interactions energy: -122.010
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.143
local terms energy: -59.617163
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -205.192262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.192262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.192262 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.083
local terms energy: -67.182510
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -118.100952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.100952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.100952 (E_RNA)
where:
Base-Base interactions energy: -73.207
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.566
local terms energy: -44.328437
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -88.085946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085946 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.023
local terms energy: -48.815254
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -81.910604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910604 (E_RNA)
where:
Base-Base interactions energy: -34.739
where: short stacking energy: -24.174
Base-Backbone interact. energy: -0.147
local terms energy: -47.025015
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -112.966436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.966436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.966436 (E_RNA)
where:
Base-Base interactions energy: -64.791
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.379
local terms energy: -47.796474
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -233.777330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.777330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.777330 (E_RNA)
where:
Base-Base interactions energy: -159.154
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.318
local terms energy: -74.305279
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -203.785207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.785207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.785207 (E_RNA)
where:
Base-Base interactions energy: -146.801
where: short stacking energy: -57.327
Base-Backbone interact. energy: 2.010
local terms energy: -58.994255
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -205.284031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.284031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.284031 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.434
local terms energy: -68.683323
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -208.120610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120610 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.762
local terms energy: -70.987819
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -13.037
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -196.602883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.602883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.602883 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.422
local terms energy: -66.253853
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -185.329986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.329986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.329986 (E_RNA)
where:
Base-Base interactions energy: -121.690
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.159
local terms energy: -63.480745
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -91.880399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880399 (E_RNA)
where:
Base-Base interactions energy: -37.590
where: short stacking energy: -37.590
Base-Backbone interact. energy: -0.126
local terms energy: -54.164931
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -4.580
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.993326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.993326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.993326 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.270
local terms energy: -44.530832
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -4.475
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: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.546280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.546280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.546280 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -18.640
Base-Backbone interact. energy: 1.985
local terms energy: -46.159310
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: 2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -79.477417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.477417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.477417 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.100
local terms energy: -46.528363
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -0.854
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: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -229.761643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.761643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.761643 (E_RNA)
where:
Base-Base interactions energy: -159.948
where: short stacking energy: -64.748
Base-Backbone interact. energy: -0.245
local terms energy: -69.568771
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -14.853
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -208.214196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.214196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.214196 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.368
local terms energy: -64.509886
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -206.169389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169389 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -62.121
Base-Backbone interact. energy: -0.001
local terms energy: -72.662800
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -17.343
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: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -188.078339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.078339 (E_RNA)
where:
Base-Base interactions energy: -122.565
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.103
local terms energy: -65.409703
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -12.129
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: 167
Temperature: 1.100000
Total energy: -194.889217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.889217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.889217 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.159
local terms energy: -70.769180
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.500
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -181.525253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.525253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.525253 (E_RNA)
where:
Base-Base interactions energy: -119.017
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.020
local terms energy: -62.488498
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.743
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: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -101.269890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.269890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.269890 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -43.505
Base-Backbone interact. energy: -0.235
local terms energy: -57.529929
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -9.563
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: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -84.003123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003123 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.058
local terms energy: -48.101175
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.968
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: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -83.401481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.401481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.401481 (E_RNA)
where:
Base-Base interactions energy: -23.954
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.110
local terms energy: -59.337618
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -9.783
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.453245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.453245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.453245 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -24.424
Base-Backbone interact. energy: 0.717
local terms energy: -49.593381
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -231.053378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.053378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.053378 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.339
local terms energy: -76.733006
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -9.229
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: 168
Temperature: 0.950000
Total energy: -203.397635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397635 (E_RNA)
where:
Base-Base interactions energy: -136.208
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.335
local terms energy: -66.854611
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -10.297
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: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -205.342636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.342636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.342636 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.006
local terms energy: -68.228535
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.381
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -193.360971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.360971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.360971 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.012
local terms energy: -65.467073
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -191.782471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.782471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.782471 (E_RNA)
where:
Base-Base interactions energy: -126.499
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.037
local terms energy: -65.247239
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -172.522878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.522878 (E_RNA)
where:
Base-Base interactions energy: -121.534
where: short stacking energy: -43.440
Base-Backbone interact. energy: 0.754
local terms energy: -51.743448
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: 0.973
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -93.595624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.595624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.595624 (E_RNA)
where:
Base-Base interactions energy: -45.341
where: short stacking energy: -32.725
Base-Backbone interact. energy: -0.136
local terms energy: -48.118326
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -89.423993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.423993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.423993 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.012
local terms energy: -50.904227
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -7.063
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -85.987586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987586 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.344
local terms energy: -52.277195
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -73.342280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.342280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.342280 (E_RNA)
where:
Base-Base interactions energy: -25.752
where: short stacking energy: -23.751
Base-Backbone interact. energy: -0.196
local terms energy: -47.394114
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 0.764
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: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -231.479203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.479203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.479203 (E_RNA)
where:
Base-Base interactions energy: -162.237
where: short stacking energy: -55.602
Base-Backbone interact. energy: 0.576
local terms energy: -69.818071
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -197.752387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.752387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752387 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.012
local terms energy: -63.551912
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -202.375174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375174 (E_RNA)
where:
Base-Base interactions energy: -139.805
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.265
local terms energy: -62.305289
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -187.510839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.510839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.510839 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.008
local terms energy: -65.546885
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -186.162837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.162837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.162837 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.010
local terms energy: -63.867224
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -156.087683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.087683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.087683 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.100
local terms energy: -55.261923
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -5.389
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -103.157391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.157391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.157391 (E_RNA)
where:
Base-Base interactions energy: -46.960
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.313
local terms energy: -55.884630
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -89.587764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.587764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.587764 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -25.786
Base-Backbone interact. energy: 0.138
local terms energy: -48.176145
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.675126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675126 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.024
local terms energy: -49.350929
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -9.447
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: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -72.748486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.748486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.748486 (E_RNA)
where:
Base-Base interactions energy: -24.861
where: short stacking energy: -21.526
Base-Backbone interact. energy: 0.196
local terms energy: -48.083807
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -8.185
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: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -223.608160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608160 (E_RNA)
where:
Base-Base interactions energy: -162.522
where: short stacking energy: -57.889
Base-Backbone interact. energy: 1.078
local terms energy: -62.164663
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -194.919781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.919781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.919781 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.725
local terms energy: -62.301427
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -188.809679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.809679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.809679 (E_RNA)
where:
Base-Base interactions energy: -123.153
where: short stacking energy: -61.334
Base-Backbone interact. energy: -0.052
local terms energy: -65.605424
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -197.576478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.576478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.576478 (E_RNA)
where:
Base-Base interactions energy: -136.612
where: short stacking energy: -58.678
Base-Backbone interact. energy: 1.478
local terms energy: -62.442547
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -8.588
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: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -204.641232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.641232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.641232 (E_RNA)
where:
Base-Base interactions energy: -136.037
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.157
local terms energy: -68.447026
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -154.000773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.000773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.000773 (E_RNA)
where:
Base-Base interactions energy: -97.258
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.102
local terms energy: -56.640003
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -9.096
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -88.424985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424985 (E_RNA)
where:
Base-Base interactions energy: -36.145
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.370
local terms energy: -51.910237
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -3.680
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: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -108.167772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.167772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.167772 (E_RNA)
where:
Base-Base interactions energy: -64.369
where: short stacking energy: -34.239
Base-Backbone interact. energy: 1.550
local terms energy: -45.348983
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -129.077314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.077314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.077314 (E_RNA)
where:
Base-Base interactions energy: -68.651
where: short stacking energy: -39.676
Base-Backbone interact. energy: 0.177
local terms energy: -60.603869
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -8.869
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: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -82.389656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.389656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.389656 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.047
local terms energy: -54.369044
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -5.072
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: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -223.404864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.404864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.404864 (E_RNA)
where:
Base-Base interactions energy: -153.503
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.864
local terms energy: -69.037875
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -203.266233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.266233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.266233 (E_RNA)
where:
Base-Base interactions energy: -133.515
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.034
local terms energy: -69.718054
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -15.471
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: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -193.559101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.559101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.559101 (E_RNA)
where:
Base-Base interactions energy: -121.484
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.172
local terms energy: -71.903015
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -203.985643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.985643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.985643 (E_RNA)
where:
Base-Base interactions energy: -139.898
where: short stacking energy: -56.441
Base-Backbone interact. energy: -0.424
local terms energy: -63.664273
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -198.121238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.121238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.121238 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.100
local terms energy: -68.689586
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -11.363
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: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -189.055396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.055396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.055396 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.099
local terms energy: -69.231338
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -19.440
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: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -96.889420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.889420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.889420 (E_RNA)
where:
Base-Base interactions energy: -37.157
where: short stacking energy: -37.157
Base-Backbone interact. energy: -0.046
local terms energy: -59.686780
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -8.861
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: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -89.485628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485628 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -22.976
Base-Backbone interact. energy: -0.382
local terms energy: -43.114379
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.953117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953117 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -31.399
Base-Backbone interact. energy: 1.938
local terms energy: -43.123239
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -9.237
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: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -90.930145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.930145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.930145 (E_RNA)
where:
Base-Base interactions energy: -35.861
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.188
local terms energy: -54.881610
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -6.860
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: 172
Temperature: 0.900000
Total energy: -202.459013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.459013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.459013 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.171
local terms energy: -71.430588
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -230.378370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.378370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.378370 (E_RNA)
where:
Base-Base interactions energy: -159.269
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.310
local terms energy: -70.799137
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.525
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: 172
Temperature: 1.000000
Total energy: -197.307354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.307354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.307354 (E_RNA)
where:
Base-Base interactions energy: -127.062
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.731
local terms energy: -69.514309
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.064
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -210.249004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.249004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.249004 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.202
local terms energy: -66.567130
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -6.585
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: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -198.114404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.114404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.114404 (E_RNA)
where:
Base-Base interactions energy: -122.742
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.007
local terms energy: -75.365327
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -180.616607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.616607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.616607 (E_RNA)
where:
Base-Base interactions energy: -117.878
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.504
local terms energy: -62.234739
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -102.432075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.432075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.432075 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.047
local terms energy: -61.959174
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -124.124547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.124547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.124547 (E_RNA)
where:
Base-Base interactions energy: -71.899
where: short stacking energy: -37.049
Base-Backbone interact. energy: 0.791
local terms energy: -53.016517
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -6.460
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -104.052075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.052075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.052075 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.559
local terms energy: -58.534384
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -75.012094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.012094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.012094 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.378
local terms energy: -42.605641
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -204.473965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473965 (E_RNA)
where:
Base-Base interactions energy: -127.371
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.004
local terms energy: -77.098812
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.675
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: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -222.004860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.004860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.004860 (E_RNA)
where:
Base-Base interactions energy: -149.717
where: short stacking energy: -56.985
Base-Backbone interact. energy: 0.026
local terms energy: -72.313405
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.474
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: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -194.732880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.732880 (E_RNA)
where:
Base-Base interactions energy: -128.206
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.083
local terms energy: -66.443892
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -215.031551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.031551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.031551 (E_RNA)
where:
Base-Base interactions energy: -143.840
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.636
local terms energy: -70.555046
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -10.280
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: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -198.342808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.342808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.342808 (E_RNA)
where:
Base-Base interactions energy: -130.929
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.199
local terms energy: -67.215680
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -190.826423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.826423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.826423 (E_RNA)
where:
Base-Base interactions energy: -127.213
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.009
local terms energy: -63.604290
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -17.641
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: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -142.179629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.179629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.179629 (E_RNA)
where:
Base-Base interactions energy: -93.325
where: short stacking energy: -37.275
Base-Backbone interact. energy: -0.156
local terms energy: -48.699088
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -97.005257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.005257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.005257 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.031
local terms energy: -59.171777
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -86.870473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870473 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -20.458
Base-Backbone interact. energy: -0.044
local terms energy: -50.605208
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -85.540763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.540763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.540763 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.097
local terms energy: -49.796153
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.414
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: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -212.397307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.397307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.397307 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.832
local terms energy: -68.309980
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -226.667983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.667983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.667983 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.752
local terms energy: -70.808640
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -6.395
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: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -202.252816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.252816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.252816 (E_RNA)
where:
Base-Base interactions energy: -136.414
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.303
local terms energy: -65.535482
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -194.149587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.149587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.149587 (E_RNA)
where:
Base-Base interactions energy: -124.020
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.017
local terms energy: -70.113176
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.415
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: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -186.972573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.972573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.972573 (E_RNA)
where:
Base-Base interactions energy: -121.141
where: short stacking energy: -63.937
Base-Backbone interact. energy: -0.001
local terms energy: -65.830838
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -8.670
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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -187.438826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.438826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.438826 (E_RNA)
where:
Base-Base interactions energy: -108.843
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.012
local terms energy: -78.583704
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -167.030257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.030257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.030257 (E_RNA)
where:
Base-Base interactions energy: -109.976
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.107
local terms energy: -56.947878
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -91.189186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.189186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.189186 (E_RNA)
where:
Base-Base interactions energy: -33.966
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.138
local terms energy: -57.085288
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -84.017644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.017644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.017644 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -22.604
Base-Backbone interact. energy: 0.977
local terms energy: -51.945287
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.449179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449179 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.592
local terms energy: -42.132019
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -3.988
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -1.076
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: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -209.252824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.252824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.252824 (E_RNA)
where:
Base-Base interactions energy: -145.022
where: short stacking energy: -69.279
Base-Backbone interact. energy: -1.338
local terms energy: -62.893370
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -217.348304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.348304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.348304 (E_RNA)
where:
Base-Base interactions energy: -149.556
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.261
local terms energy: -67.531184
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -224.198168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.198168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.198168 (E_RNA)
where:
Base-Base interactions energy: -153.783
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.453
local terms energy: -69.961725
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -197.371064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.371064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.371064 (E_RNA)
where:
Base-Base interactions energy: -133.882
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.613
local terms energy: -62.876445
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -187.134581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.134581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.134581 (E_RNA)
where:
Base-Base interactions energy: -123.574
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.083
local terms energy: -63.477281
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -181.502473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.502473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.502473 (E_RNA)
where:
Base-Base interactions energy: -118.890
where: short stacking energy: -53.830
Base-Backbone interact. energy: -0.097
local terms energy: -62.514765
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -15.169
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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -176.518187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.518187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.518187 (E_RNA)
where:
Base-Base interactions energy: -108.744
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.112
local terms energy: -67.661974
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.165
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: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -86.181697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.181697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.181697 (E_RNA)
where:
Base-Base interactions energy: -37.347
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.164
local terms energy: -48.670448
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -11.005
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: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -83.898228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898228 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.090
local terms energy: -44.277576
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -102.452902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.452902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.452902 (E_RNA)
where:
Base-Base interactions energy: -62.508
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.470
local terms energy: -39.475689
where:
bonds (distance) C4'-P energy: -5.046
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -234.896983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.896983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.896983 (E_RNA)
where:
Base-Base interactions energy: -154.761
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.325
local terms energy: -79.810598
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -12.650
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: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -201.223807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.223807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.223807 (E_RNA)
where:
Base-Base interactions energy: -128.795
where: short stacking energy: -63.934
Base-Backbone interact. energy: -1.099
local terms energy: -71.329211
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -19.286
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: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -217.318790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.318790 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -62.292
Base-Backbone interact. energy: -1.294
local terms energy: -72.861722
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -202.192873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.192873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.192873 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.033
local terms energy: -68.034709
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.092
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -191.623331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623331 (E_RNA)
where:
Base-Base interactions energy: -131.308
where: short stacking energy: -56.616
Base-Backbone interact. energy: 0.400
local terms energy: -60.714853
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -8.197
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: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -182.230512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.230512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.230512 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.011
local terms energy: -72.428741
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -156.646627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.646627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.646627 (E_RNA)
where:
Base-Base interactions energy: -97.524
where: short stacking energy: -46.284
Base-Backbone interact. energy: -0.168
local terms energy: -58.954863
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -101.059687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.059687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.059687 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.002
local terms energy: -60.493749
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -125.269980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.269980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.269980 (E_RNA)
where:
Base-Base interactions energy: -74.525
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.315
local terms energy: -50.429560
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -5.391
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: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -78.956036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.956036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.956036 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -19.764
Base-Backbone interact. energy: -0.365
local terms energy: -48.484232
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -218.045053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.045053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.045053 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.140
local terms energy: -74.108666
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -220.766052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.766052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.766052 (E_RNA)
where:
Base-Base interactions energy: -146.130
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.462
local terms energy: -74.174725
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -204.612145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.612145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612145 (E_RNA)
where:
Base-Base interactions energy: -126.362
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.002
local terms energy: -78.248409
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -194.713299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.713299 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.104
local terms energy: -68.849879
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -15.897
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: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -188.511733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.511733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.511733 (E_RNA)
where:
Base-Base interactions energy: -122.855
where: short stacking energy: -55.864
Base-Backbone interact. energy: -0.436
local terms energy: -65.220775
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -180.874508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.874508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.874508 (E_RNA)
where:
Base-Base interactions energy: -104.194
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.005
local terms energy: -76.675722
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -144.011727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.011727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.011727 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -44.834
Base-Backbone interact. energy: 0.009
local terms energy: -51.144392
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -7.222
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -123.827614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.827614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.827614 (E_RNA)
where:
Base-Base interactions energy: -82.124
where: short stacking energy: -41.452
Base-Backbone interact. energy: -0.151
local terms energy: -41.552167
where:
bonds (distance) C4'-P energy: -5.049
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -2.962
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: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -81.434174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.434174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.434174 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -32.607
Base-Backbone interact. energy: -0.065
local terms energy: -46.730716
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -8.955
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: 10, replica: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -101.832784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.832784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.832784 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.907
local terms energy: -47.944490
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: 1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -232.167406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.167406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.167406 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.308
local terms energy: -74.568725
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -219.945716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.945716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.945716 (E_RNA)
where:
Base-Base interactions energy: -148.608
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.176
local terms energy: -71.161384
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -11.564
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: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -189.229432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229432 (E_RNA)
where:
Base-Base interactions energy: -129.280
where: short stacking energy: -64.500
Base-Backbone interact. energy: -0.415
local terms energy: -59.534010
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -190.814639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.814639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.814639 (E_RNA)
where:
Base-Base interactions energy: -123.128
where: short stacking energy: -56.975
Base-Backbone interact. energy: 0.309
local terms energy: -67.995316
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.997
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -188.500403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.500403 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.084
local terms energy: -69.261311
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -190.020465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020465 (E_RNA)
where:
Base-Base interactions energy: -128.401
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.124
local terms energy: -61.495373
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -11.129
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: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -148.551733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.551733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.551733 (E_RNA)
where:
Base-Base interactions energy: -90.554
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.180
local terms energy: -57.817750
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -8.107
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -127.929663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.929663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.929663 (E_RNA)
where:
Base-Base interactions energy: -73.987
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.168
local terms energy: -53.774011
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -147.551130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.551130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.551130 (E_RNA)
where:
Base-Base interactions energy: -91.334
where: short stacking energy: -47.711
Base-Backbone interact. energy: 1.122
local terms energy: -57.339851
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -73.815418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.815418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.815418 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -25.138
Base-Backbone interact. energy: 0.246
local terms energy: -46.735236
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -236.533483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.533483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.533483 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.492
local terms energy: -70.611618
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -17.508
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: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -210.900900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.900900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.900900 (E_RNA)
where:
Base-Base interactions energy: -148.792
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.033
local terms energy: -62.075524
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -6.354
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: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -187.390099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.390099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.390099 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.243
local terms energy: -58.020949
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -196.402330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.402330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.402330 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.762
local terms energy: -59.488370
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -6.597
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -200.774251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.774251 (E_RNA)
where:
Base-Base interactions energy: -124.518
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.002
local terms energy: -76.254471
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -8.768
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: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -180.139201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.139201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.139201 (E_RNA)
where:
Base-Base interactions energy: -115.633
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.129
local terms energy: -64.377739
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.778
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: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -133.368365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.368365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.368365 (E_RNA)
where:
Base-Base interactions energy: -72.512
where: short stacking energy: -42.609
Base-Backbone interact. energy: -0.096
local terms energy: -60.760521
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -151.983503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.983503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.983503 (E_RNA)
where:
Base-Base interactions energy: -89.787
where: short stacking energy: -50.901
Base-Backbone interact. energy: -0.186
local terms energy: -62.010342
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -129.882093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.882093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.882093 (E_RNA)
where:
Base-Base interactions energy: -70.786
where: short stacking energy: -44.018
Base-Backbone interact. energy: -0.079
local terms energy: -59.016818
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -102.268783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.268783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.268783 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.176
local terms energy: -52.946970
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -237.910729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.910729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.910729 (E_RNA)
where:
Base-Base interactions energy: -171.393
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.284
local terms energy: -66.233225
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -227.139048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.139048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.139048 (E_RNA)
where:
Base-Base interactions energy: -152.724
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.271
local terms energy: -74.144194
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -209.277503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.277503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.277503 (E_RNA)
where:
Base-Base interactions energy: -134.913
where: short stacking energy: -65.708
Base-Backbone interact. energy: 0.373
local terms energy: -74.737421
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -199.953927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953927 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.597
local terms energy: -69.450366
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -192.363831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.363831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.363831 (E_RNA)
where:
Base-Base interactions energy: -127.127
where: short stacking energy: -49.956
Base-Backbone interact. energy: -0.083
local terms energy: -65.153801
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -9.744
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: 180
Temperature: 1.150000
Total energy: -188.747325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.747325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.747325 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.208
local terms energy: -69.567890
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -143.463632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.463632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.463632 (E_RNA)
where:
Base-Base interactions energy: -81.250
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.115
local terms energy: -62.099095
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -82.301706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.301706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.301706 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.691
local terms energy: -50.667002
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.480
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: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -81.238281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.238281 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.124
local terms energy: -51.961991
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -10.068
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: 180
Temperature: 1.350000
Total energy: -96.303026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.303026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.303026 (E_RNA)
where:
Base-Base interactions energy: -51.779
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.249
local terms energy: -44.275494
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 0.092
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: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -238.539801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.539801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.539801 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.109
local terms energy: -68.286143
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -214.544591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.544591 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.507
local terms energy: -68.985348
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.227
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: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -199.364234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.364234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.364234 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -60.293
Base-Backbone interact. energy: 0.118
local terms energy: -66.720327
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -190.311585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.311585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.311585 (E_RNA)
where:
Base-Base interactions energy: -121.793
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.132
local terms energy: -68.386596
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.956
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -187.853864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.853864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.853864 (E_RNA)
where:
Base-Base interactions energy: -118.396
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.090
local terms energy: -69.368368
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -11.684
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: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -192.549442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.549442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.549442 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.920
local terms energy: -57.988542
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.532
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: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -141.166954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.166954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.166954 (E_RNA)
where:
Base-Base interactions energy: -80.368
where: short stacking energy: -39.300
Base-Backbone interact. energy: 0.456
local terms energy: -61.254286
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -86.874856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874856 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.349
local terms energy: -54.878297
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.224
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: 181
Temperature: 1.300000
Total energy: -83.760970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760970 (E_RNA)
where:
Base-Base interactions energy: -33.359
where: short stacking energy: -32.239
Base-Backbone interact. energy: -0.030
local terms energy: -50.371357
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -80.854292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854292 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -18.871
Base-Backbone interact. energy: 0.372
local terms energy: -46.114483
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -0.526
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: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -228.809764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.809764 (E_RNA)
where:
Base-Base interactions energy: -151.438
where: short stacking energy: -70.313
Base-Backbone interact. energy: -0.568
local terms energy: -76.804371
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -234.432469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.432469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.432469 (E_RNA)
where:
Base-Base interactions energy: -162.285
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.399
local terms energy: -71.748799
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -211.968047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.968047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.968047 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.808
local terms energy: -76.158221
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -192.257317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.257317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.257317 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -63.190
Base-Backbone interact. energy: -0.524
local terms energy: -67.770474
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -2.061
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: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -203.683533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.683533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.683533 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.099
local terms energy: -70.649865
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.607
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: 182
Temperature: 1.150000
Total energy: -176.378177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378177 (E_RNA)
where:
Base-Base interactions energy: -115.175
where: short stacking energy: -53.463
Base-Backbone interact. energy: -0.481
local terms energy: -60.721952
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -6.781
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -132.259636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.259636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.259636 (E_RNA)
where:
Base-Base interactions energy: -74.308
where: short stacking energy: -38.243
Base-Backbone interact. energy: -0.335
local terms energy: -57.616060
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -88.123860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.123860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.123860 (E_RNA)
where:
Base-Base interactions energy: -50.474
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.230
local terms energy: -37.419362
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: 0.138
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: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -86.829973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829973 (E_RNA)
where:
Base-Base interactions energy: -43.493
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.276
local terms energy: -43.061466
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: -4.189
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: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -71.244560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.244560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.244560 (E_RNA)
where:
Base-Base interactions energy: -27.937
where: short stacking energy: -27.937
Base-Backbone interact. energy: -0.260
local terms energy: -43.047428
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -2.286
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: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -228.323091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.323091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.323091 (E_RNA)
where:
Base-Base interactions energy: -152.590
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.286
local terms energy: -75.447477
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -211.104754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.104754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.104754 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.583
local terms energy: -60.685383
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -0.433
tors. eta vs tors. theta energy: -13.653
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: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -230.503819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.503819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.503819 (E_RNA)
where:
Base-Base interactions energy: -160.826
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.161
local terms energy: -69.516781
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -209.148124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148124 (E_RNA)
where:
Base-Base interactions energy: -138.461
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.001
local terms energy: -70.686150
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -6.439
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: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -194.307705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.307705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.307705 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.163
local terms energy: -61.353424
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -145.224179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.224179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.224179 (E_RNA)
where:
Base-Base interactions energy: -85.515
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.123
local terms energy: -59.586278
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -8.567
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: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -182.781258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.781258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.781258 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -51.686
Base-Backbone interact. energy: 0.115
local terms energy: -59.430305
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -83.541387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.541387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.541387 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.137
local terms energy: -51.161800
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -78.500950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.500950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.500950 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.226
local terms energy: -49.373962
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -81.000377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000377 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -18.134
Base-Backbone interact. energy: -0.243
local terms energy: -50.509317
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: 4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -223.433817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.433817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.433817 (E_RNA)
where:
Base-Base interactions energy: -151.986
where: short stacking energy: -78.208
Base-Backbone interact. energy: -0.003
local terms energy: -71.444166
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -226.803647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.803647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.803647 (E_RNA)
where:
Base-Base interactions energy: -147.973
where: short stacking energy: -67.619
Base-Backbone interact. energy: -0.390
local terms energy: -78.440474
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -215.553009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553009 (E_RNA)
where:
Base-Base interactions energy: -144.274
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.002
local terms energy: -71.276559
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -227.995189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.995189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.995189 (E_RNA)
where:
Base-Base interactions energy: -165.590
where: short stacking energy: -73.745
Base-Backbone interact. energy: -0.236
local terms energy: -62.169723
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -9.778
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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -192.266535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.266535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.266535 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.848
local terms energy: -53.060461
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -153.595040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.595040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.595040 (E_RNA)
where:
Base-Base interactions energy: -95.006
where: short stacking energy: -44.547
Base-Backbone interact. energy: -0.013
local terms energy: -58.576240
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -171.056211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.056211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.056211 (E_RNA)
where:
Base-Base interactions energy: -110.909
where: short stacking energy: -49.825
Base-Backbone interact. energy: -0.092
local terms energy: -60.055301
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.617
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -117.406470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.406470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.406470 (E_RNA)
where:
Base-Base interactions energy: -66.206
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.639
local terms energy: -50.562071
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -7.373
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -84.016274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.016274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.016274 (E_RNA)
where:
Base-Base interactions energy: -36.939
where: short stacking energy: -36.939
Base-Backbone interact. energy: -0.154
local terms energy: -46.923113
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -79.620771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.620771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.620771 (E_RNA)
where:
Base-Base interactions energy: -23.749
where: short stacking energy: -23.463
Base-Backbone interact. energy: -0.029
local terms energy: -55.842407
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -224.727565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.727565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.727565 (E_RNA)
where:
Base-Base interactions energy: -157.091
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.006
local terms energy: -67.630501
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -6.084
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: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -217.574295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.574295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.574295 (E_RNA)
where:
Base-Base interactions energy: -145.791
where: short stacking energy: -63.655
Base-Backbone interact. energy: 0.044
local terms energy: -71.827252
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.051
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: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -199.386158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.386158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.386158 (E_RNA)
where:
Base-Base interactions energy: -137.119
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.026
local terms energy: -62.241204
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -231.086399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086399 (E_RNA)
where:
Base-Base interactions energy: -166.464
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.856
local terms energy: -63.766946
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -199.256735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.256735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.256735 (E_RNA)
where:
Base-Base interactions energy: -127.968
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.650
local terms energy: -70.638802
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -5.794
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -200.619498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.619498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.619498 (E_RNA)
where:
Base-Base interactions energy: -128.423
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.140
local terms energy: -72.056291
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -151.381224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.381224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.381224 (E_RNA)
where:
Base-Base interactions energy: -86.020
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.018
local terms energy: -65.343278
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -84.580091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.580091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.580091 (E_RNA)
where:
Base-Base interactions energy: -37.200
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.056
local terms energy: -47.323589
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -2.113
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: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -94.092855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092855 (E_RNA)
where:
Base-Base interactions energy: -41.423
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.208
local terms energy: -52.461579
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -77.804926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.804926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.804926 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -21.807
Base-Backbone interact. energy: 1.634
local terms energy: -48.298800
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -219.246960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.246960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246960 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.323
local terms energy: -71.606094
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -207.105204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.105204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.105204 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.772
local terms energy: -64.741045
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -16.520
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -229.080656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.080656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080656 (E_RNA)
where:
Base-Base interactions energy: -158.425
where: short stacking energy: -69.524
Base-Backbone interact. energy: -0.647
local terms energy: -70.009208
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -187.935991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935991 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.311
local terms energy: -59.211324
where:
bonds (distance) C4'-P energy: -4.201
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -205.227886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.227886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227886 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.032
local terms energy: -62.197725
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -200.075551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.075551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.075551 (E_RNA)
where:
Base-Base interactions energy: -137.258
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.239
local terms energy: -62.579041
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -137.327101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.327101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.327101 (E_RNA)
where:
Base-Base interactions energy: -83.952
where: short stacking energy: -37.578
Base-Backbone interact. energy: -0.317
local terms energy: -53.058177
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -83.190680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.190680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.190680 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.368
local terms energy: -53.839109
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -4.141
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: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -90.077200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.077200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.077200 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.315
local terms energy: -54.882824
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.902
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: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -78.431993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.431993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.431993 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -35.823
Base-Backbone interact. energy: 1.715
local terms energy: -44.324282
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -7.749
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -208.719685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.719685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.719685 (E_RNA)
where:
Base-Base interactions energy: -144.582
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.275
local terms energy: -63.862147
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -234.868454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.868454 (E_RNA)
where:
Base-Base interactions energy: -166.606
where: short stacking energy: -68.502
Base-Backbone interact. energy: 0.142
local terms energy: -68.404739
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.492
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: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -210.869557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.869557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.869557 (E_RNA)
where:
Base-Base interactions energy: -142.452
where: short stacking energy: -63.135
Base-Backbone interact. energy: 0.047
local terms energy: -68.464995
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -199.508596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.508596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.508596 (E_RNA)
where:
Base-Base interactions energy: -132.741
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.204
local terms energy: -66.563733
where:
bonds (distance) C4'-P energy: -7.302
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -192.569897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.569897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.569897 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.472
local terms energy: -58.115291
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -3.758
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: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -153.007874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.007874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.007874 (E_RNA)
where:
Base-Base interactions energy: -88.620
where: short stacking energy: -55.146
Base-Backbone interact. energy: -0.024
local terms energy: -64.364139
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.222
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -176.812920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.812920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.812920 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.007
local terms energy: -60.999671
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.623
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: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -90.530800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530800 (E_RNA)
where:
Base-Base interactions energy: -38.183
where: short stacking energy: -33.704
Base-Backbone interact. energy: 1.227
local terms energy: -53.575151
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -87.045306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.045306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.045306 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -30.373
Base-Backbone interact. energy: 1.706
local terms energy: -50.198903
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 2.156
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: 187
Temperature: 1.350000
Total energy: -81.123916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.123916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.123916 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -28.468
Base-Backbone interact. energy: 0.187
local terms energy: -49.242207
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -231.992381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.992381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.992381 (E_RNA)
where:
Base-Base interactions energy: -159.236
where: short stacking energy: -67.404
Base-Backbone interact. energy: 1.939
local terms energy: -74.695909
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -208.323238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.323238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.323238 (E_RNA)
where:
Base-Base interactions energy: -142.822
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.977
local terms energy: -64.524465
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -204.681989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.681989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.681989 (E_RNA)
where:
Base-Base interactions energy: -135.902
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.210
local terms energy: -68.569995
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -208.046647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046647 (E_RNA)
where:
Base-Base interactions energy: -133.317
where: short stacking energy: -66.736
Base-Backbone interact. energy: -0.103
local terms energy: -74.626518
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -200.305659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.305659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.305659 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -52.643
Base-Backbone interact. energy: 0.290
local terms energy: -61.505088
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -163.188280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.188280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.188280 (E_RNA)
where:
Base-Base interactions energy: -106.067
where: short stacking energy: -44.885
Base-Backbone interact. energy: 0.620
local terms energy: -57.741746
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -4.168
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: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -95.614736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.614736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.614736 (E_RNA)
where:
Base-Base interactions energy: -40.397
where: short stacking energy: -40.397
Base-Backbone interact. energy: 1.397
local terms energy: -56.614326
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.925
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: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -114.892173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.892173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.892173 (E_RNA)
where:
Base-Base interactions energy: -61.251
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.328
local terms energy: -53.313505
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -95.539458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.539458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.539458 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -46.149
Base-Backbone interact. energy: -0.060
local terms energy: -48.620576
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -81.750918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750918 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -27.584
Base-Backbone interact. energy: -0.144
local terms energy: -45.416329
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -225.772890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.772890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772890 (E_RNA)
where:
Base-Base interactions energy: -150.250
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.349
local terms energy: -75.173559
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.753
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: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -210.176264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176264 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.228
local terms energy: -71.626153
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -213.889614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.889614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.889614 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.834
local terms energy: -73.480161
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.551
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: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -196.817203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.817203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.817203 (E_RNA)
where:
Base-Base interactions energy: -136.805
where: short stacking energy: -53.096
Base-Backbone interact. energy: -0.190
local terms energy: -59.822207
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -193.636182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.636182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.636182 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.006
local terms energy: -69.197793
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -161.371317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.371317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.371317 (E_RNA)
where:
Base-Base interactions energy: -97.876
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.731
local terms energy: -62.764583
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -100.749537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.749537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.749537 (E_RNA)
where:
Base-Base interactions energy: -52.004
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.180
local terms energy: -48.565561
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -0.931
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: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -98.853900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.853900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.853900 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.036
local terms energy: -56.973198
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -82.054420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054420 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -33.919
Base-Backbone interact. energy: -0.112
local terms energy: -40.419056
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -3.144
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: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -76.140972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.140972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.140972 (E_RNA)
where:
Base-Base interactions energy: -31.571
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.256
local terms energy: -44.313841
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -226.148248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148248 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.041
local terms energy: -74.174720
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -228.826152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.826152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.826152 (E_RNA)
where:
Base-Base interactions energy: -155.085
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.192
local terms energy: -73.548618
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.780
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: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -218.634208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.634208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.634208 (E_RNA)
where:
Base-Base interactions energy: -154.580
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.291
local terms energy: -63.763747
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -11.438
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: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -203.500997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.500997 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.008
local terms energy: -70.769767
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -204.770821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.770821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.770821 (E_RNA)
where:
Base-Base interactions energy: -135.537
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.014
local terms energy: -69.219555
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -152.177398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.177398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.177398 (E_RNA)
where:
Base-Base interactions energy: -94.285
where: short stacking energy: -46.938
Base-Backbone interact. energy: -0.216
local terms energy: -57.676767
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -89.540267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.540267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.540267 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.010
local terms energy: -55.760063
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -98.227123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.227123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.227123 (E_RNA)
where:
Base-Base interactions energy: -49.079
where: short stacking energy: -30.091
Base-Backbone interact. energy: -0.663
local terms energy: -48.484885
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -76.977636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.977636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.977636 (E_RNA)
where:
Base-Base interactions energy: -25.007
where: short stacking energy: -21.658
Base-Backbone interact. energy: -0.320
local terms energy: -51.650130
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -87.677284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.677284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.677284 (E_RNA)
where:
Base-Base interactions energy: -38.668
where: short stacking energy: -28.526
Base-Backbone interact. energy: 0.192
local terms energy: -49.201091
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -223.885972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.885972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.885972 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.008
local terms energy: -77.658821
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -21.280
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: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -231.656614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.656614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.656614 (E_RNA)
where:
Base-Base interactions energy: -156.175
where: short stacking energy: -72.092
Base-Backbone interact. energy: -0.324
local terms energy: -75.158010
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -222.107588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.107588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.107588 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -61.929
Base-Backbone interact. energy: -0.434
local terms energy: -78.449760
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -9.562
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: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -206.322482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.322482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.322482 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.006
local terms energy: -63.831496
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -6.521
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: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -202.768165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768165 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.197
local terms energy: -64.328135
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -12.051
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -144.719139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.719139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.719139 (E_RNA)
where:
Base-Base interactions energy: -79.785
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.100
local terms energy: -64.834249
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -90.850494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.850494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.850494 (E_RNA)
where:
Base-Base interactions energy: -41.443
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.901
local terms energy: -48.505712
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -0.048
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -124.827568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.827568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.827568 (E_RNA)
where:
Base-Base interactions energy: -71.285
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.192
local terms energy: -53.350275
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -5.809
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -79.761139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761139 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -25.328
Base-Backbone interact. energy: -0.206
local terms energy: -46.937058
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -10.031
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: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -81.065565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.065565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.065565 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -26.173
Base-Backbone interact. energy: -0.219
local terms energy: -47.488598
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -233.916701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.916701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.916701 (E_RNA)
where:
Base-Base interactions energy: -166.606
where: short stacking energy: -67.737
Base-Backbone interact. energy: -0.934
local terms energy: -66.377290
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -15.516
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -219.694241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.694241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.694241 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.010
local terms energy: -74.986013
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -217.840557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.840557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.840557 (E_RNA)
where:
Base-Base interactions energy: -150.211
where: short stacking energy: -73.982
Base-Backbone interact. energy: -0.000
local terms energy: -67.629645
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -8.254
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: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -213.263839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.263839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.263839 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.007
local terms energy: -67.201727
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -199.376422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.376422 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.171
local terms energy: -69.437605
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -144.750024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.750024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.750024 (E_RNA)
where:
Base-Base interactions energy: -89.226
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.112
local terms energy: -55.412017
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -149.775172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.775172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.775172 (E_RNA)
where:
Base-Base interactions energy: -95.080
where: short stacking energy: -48.482
Base-Backbone interact. energy: -0.093
local terms energy: -54.602124
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.132133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.132133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.132133 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.351
local terms energy: -49.918180
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -6.210
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -76.348405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.348405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.348405 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -19.970
Base-Backbone interact. energy: 0.332
local terms energy: -45.750289
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -0.913
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -89.395833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395833 (E_RNA)
where:
Base-Base interactions energy: -28.823
where: short stacking energy: -26.801
Base-Backbone interact. energy: -0.089
local terms energy: -60.484252
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -238.424301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.424301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.424301 (E_RNA)
where:
Base-Base interactions energy: -172.703
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.811
local terms energy: -64.910943
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -222.220615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220615 (E_RNA)
where:
Base-Base interactions energy: -146.791
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.132
local terms energy: -75.298073
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -216.938343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.938343 (E_RNA)
where:
Base-Base interactions energy: -149.279
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.210
local terms energy: -67.449682
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -203.202769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.202769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.202769 (E_RNA)
where:
Base-Base interactions energy: -131.698
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.917
local terms energy: -70.587828
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -14.437
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: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -190.064595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.064595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.064595 (E_RNA)
where:
Base-Base interactions energy: -120.064
where: short stacking energy: -59.846
Base-Backbone interact. energy: -0.017
local terms energy: -69.984067
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -142.607278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.607278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.607278 (E_RNA)
where:
Base-Base interactions energy: -79.117
where: short stacking energy: -46.556
Base-Backbone interact. energy: -0.116
local terms energy: -63.374251
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -149.098989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.098989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.098989 (E_RNA)
where:
Base-Base interactions energy: -92.681
where: short stacking energy: -35.774
Base-Backbone interact. energy: -0.108
local terms energy: -56.309627
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -6.486
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: 193
Temperature: 1.250000
Total energy: -90.206824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206824 (E_RNA)
where:
Base-Base interactions energy: -30.497
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.011
local terms energy: -59.698391
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -92.014712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014712 (E_RNA)
where:
Base-Base interactions energy: -41.345
where: short stacking energy: -41.345
Base-Backbone interact. energy: -0.172
local terms energy: -50.498244
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -90.906094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906094 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.173
local terms energy: -50.964880
where:
bonds (distance) C4'-P energy: -5.507
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -236.897287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.897287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.897287 (E_RNA)
where:
Base-Base interactions energy: -171.597
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.702
local terms energy: -64.598350
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -225.137489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.137489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.137489 (E_RNA)
where:
Base-Base interactions energy: -148.572
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.170
local terms energy: -76.395065
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -209.407304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.407304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.407304 (E_RNA)
where:
Base-Base interactions energy: -144.003
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.290
local terms energy: -65.115247
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -213.292309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.292309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.292309 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -63.815
Base-Backbone interact. energy: -0.005
local terms energy: -75.784606
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -189.074449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.074449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.074449 (E_RNA)
where:
Base-Base interactions energy: -124.239
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.729
local terms energy: -64.106412
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -157.481290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.481290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.481290 (E_RNA)
where:
Base-Base interactions energy: -103.881
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.220
local terms energy: -53.380204
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -84.174963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.174963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.174963 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -21.001
Base-Backbone interact. energy: 0.499
local terms energy: -50.135160
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -122.823145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.823145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.823145 (E_RNA)
where:
Base-Base interactions energy: -68.403
where: short stacking energy: -23.056
Base-Backbone interact. energy: -0.883
local terms energy: -53.537288
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -87.766268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766268 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.767
local terms energy: -50.866490
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -77.052769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.052769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.052769 (E_RNA)
where:
Base-Base interactions energy: -27.012
where: short stacking energy: -14.613
Base-Backbone interact. energy: -1.065
local terms energy: -48.975986
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -231.133764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.133764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.133764 (E_RNA)
where:
Base-Base interactions energy: -163.012
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.110
local terms energy: -68.011755
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -11.910
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: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -217.317138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.317138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.317138 (E_RNA)
where:
Base-Base interactions energy: -142.220
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.410
local terms energy: -74.687503
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -215.601676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.601676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.601676 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.172
local terms energy: -75.645554
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -197.256802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.256802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.256802 (E_RNA)
where:
Base-Base interactions energy: -140.166
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.033
local terms energy: -57.057648
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -188.157315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.157315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.157315 (E_RNA)
where:
Base-Base interactions energy: -118.800
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.054
local terms energy: -69.303224
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -151.157033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.157033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.157033 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -49.299
Base-Backbone interact. energy: -0.259
local terms energy: -57.078355
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -106.206698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.206698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.206698 (E_RNA)
where:
Base-Base interactions energy: -58.027
where: short stacking energy: -45.600
Base-Backbone interact. energy: 0.286
local terms energy: -48.465650
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -119.000241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.000241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.000241 (E_RNA)
where:
Base-Base interactions energy: -65.216
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.833
local terms energy: -52.951774
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -8.133
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: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -77.416851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.416851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.416851 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -16.285
Base-Backbone interact. energy: 0.014
local terms energy: -43.341920
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: 7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -77.941793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.941793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.941793 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.118
local terms energy: -43.733191
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: 2.568
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -227.168111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.168111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.168111 (E_RNA)
where:
Base-Base interactions energy: -153.238
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.060
local terms energy: -73.870046
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -218.722452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.722452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.722452 (E_RNA)
where:
Base-Base interactions energy: -155.966
where: short stacking energy: -52.169
Base-Backbone interact. energy: -0.423
local terms energy: -62.333063
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -203.583480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.583480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.583480 (E_RNA)
where:
Base-Base interactions energy: -141.146
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.175
local terms energy: -62.262176
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -196.165335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.165335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.165335 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.003
local terms energy: -68.370174
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -181.248930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248930 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -47.727
Base-Backbone interact. energy: 2.058
local terms energy: -62.799331
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -166.587397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.587397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.587397 (E_RNA)
where:
Base-Base interactions energy: -107.549
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.349
local terms energy: -58.688807
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -108.525286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.525286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.525286 (E_RNA)
where:
Base-Base interactions energy: -59.484
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.072
local terms energy: -48.969663
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -93.341420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341420 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -34.776
Base-Backbone interact. energy: -0.886
local terms energy: -55.479500
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -7.331
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: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.709735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.709735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.709735 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -29.647
Base-Backbone interact. energy: -0.128
local terms energy: -54.935077
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -70.977682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.977682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.977682 (E_RNA)
where:
Base-Base interactions energy: -27.096
where: short stacking energy: -23.589
Base-Backbone interact. energy: 1.550
local terms energy: -45.431482
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -222.933434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.933434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.933434 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.028
local terms energy: -68.960949
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -195.584690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.584690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.584690 (E_RNA)
where:
Base-Base interactions energy: -125.027
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.020
local terms energy: -70.537303
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -226.708565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.708565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.708565 (E_RNA)
where:
Base-Base interactions energy: -163.525
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.278
local terms energy: -62.905886
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -196.418855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.418855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.418855 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.653
local terms energy: -68.014530
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -186.941723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.941723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.941723 (E_RNA)
where:
Base-Base interactions energy: -129.874
where: short stacking energy: -56.404
Base-Backbone interact. energy: -0.540
local terms energy: -56.528096
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -9.426
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: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -164.949971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.949971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.949971 (E_RNA)
where:
Base-Base interactions energy: -107.965
where: short stacking energy: -43.009
Base-Backbone interact. energy: -0.902
local terms energy: -56.082286
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -136.838314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.838314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.838314 (E_RNA)
where:
Base-Base interactions energy: -78.047
where: short stacking energy: -43.551
Base-Backbone interact. energy: -0.093
local terms energy: -58.698952
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -8.882
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: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -90.511519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511519 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -39.181
Base-Backbone interact. energy: -0.249
local terms energy: -53.465048
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -9.004
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -136.939688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.939688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.939688 (E_RNA)
where:
Base-Base interactions energy: -82.623
where: short stacking energy: -35.339
Base-Backbone interact. energy: -0.340
local terms energy: -53.976216
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.005
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -82.013763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013763 (E_RNA)
where:
Base-Base interactions energy: -25.336
where: short stacking energy: -25.336
Base-Backbone interact. energy: 3.752
local terms energy: -60.429520
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -222.343980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.343980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343980 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -69.225
Base-Backbone interact. energy: 0.162
local terms energy: -72.311935
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -205.337342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.337342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.337342 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.001
local terms energy: -74.405899
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -218.709732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709732 (E_RNA)
where:
Base-Base interactions energy: -150.498
where: short stacking energy: -61.622
Base-Backbone interact. energy: 1.328
local terms energy: -69.539054
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -185.949429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.949429 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -52.405
Base-Backbone interact. energy: -0.224
local terms energy: -68.428193
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -197.388684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.388684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.388684 (E_RNA)
where:
Base-Base interactions energy: -141.959
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.202
local terms energy: -55.227746
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -138.546162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.546162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.546162 (E_RNA)
where:
Base-Base interactions energy: -75.731
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.131
local terms energy: -62.684353
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -8.676
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: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -163.922406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.922406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.922406 (E_RNA)
where:
Base-Base interactions energy: -96.843
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.131
local terms energy: -66.947502
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -79.514163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514163 (E_RNA)
where:
Base-Base interactions energy: -31.216
where: short stacking energy: -31.216
Base-Backbone interact. energy: 1.341
local terms energy: -49.638952
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -142.334498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.334498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.334498 (E_RNA)
where:
Base-Base interactions energy: -92.158
where: short stacking energy: -44.619
Base-Backbone interact. energy: -0.345
local terms energy: -49.831831
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -96.315762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315762 (E_RNA)
where:
Base-Base interactions energy: -45.636
where: short stacking energy: -32.640
Base-Backbone interact. energy: 0.371
local terms energy: -51.051599
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -0.561
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -219.556730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.556730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.556730 (E_RNA)
where:
Base-Base interactions energy: -157.712
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.039
local terms energy: -61.805188
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -5.726
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -219.354306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.354306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.354306 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.039
local terms energy: -71.298556
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -16.471
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: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -194.536303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.536303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.536303 (E_RNA)
where:
Base-Base interactions energy: -126.343
where: short stacking energy: -52.272
Base-Backbone interact. energy: -0.134
local terms energy: -68.059000
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -213.362402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.362402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.362402 (E_RNA)
where:
Base-Base interactions energy: -143.500
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.446
local terms energy: -69.416840
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -21.122
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: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -198.920746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.920746 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.013
local terms energy: -63.412129
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -8.350
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: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -167.138470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.138470 (E_RNA)
where:
Base-Base interactions energy: -104.245
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.002
local terms energy: -62.892130
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -145.276142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.276142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.276142 (E_RNA)
where:
Base-Base interactions energy: -89.806
where: short stacking energy: -49.440
Base-Backbone interact. energy: -0.040
local terms energy: -55.429435
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -172.920038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920038 (E_RNA)
where:
Base-Base interactions energy: -113.280
where: short stacking energy: -46.919
Base-Backbone interact. energy: 0.905
local terms energy: -60.545348
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -87.014825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.014825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.014825 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -41.230
Base-Backbone interact. energy: -0.060
local terms energy: -44.930626
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -8.465
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: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -85.659854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659854 (E_RNA)
where:
Base-Base interactions energy: -38.419
where: short stacking energy: -20.654
Base-Backbone interact. energy: -0.249
local terms energy: -46.991671
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: 0.510
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: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -219.461778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.461778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.461778 (E_RNA)
where:
Base-Base interactions energy: -152.547
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.312
local terms energy: -66.603031
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.203
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: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -226.494218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.494218 (E_RNA)
where:
Base-Base interactions energy: -159.574
where: short stacking energy: -70.900
Base-Backbone interact. energy: 0.431
local terms energy: -67.351017
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -216.536719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.536719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.536719 (E_RNA)
where:
Base-Base interactions energy: -146.105
where: short stacking energy: -66.091
Base-Backbone interact. energy: -1.704
local terms energy: -68.727125
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -187.823338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.823338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.823338 (E_RNA)
where:
Base-Base interactions energy: -117.541
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.026
local terms energy: -70.256475
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.832
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -178.731801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.731801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.731801 (E_RNA)
where:
Base-Base interactions energy: -111.941
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.766
local terms energy: -66.024967
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -185.415662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.415662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.415662 (E_RNA)
where:
Base-Base interactions energy: -131.647
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.036
local terms energy: -53.733161
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -174.541845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.541845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.541845 (E_RNA)
where:
Base-Base interactions energy: -116.162
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.064
local terms energy: -58.316335
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -131.662491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.662491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.662491 (E_RNA)
where:
Base-Base interactions energy: -78.109
where: short stacking energy: -49.049
Base-Backbone interact. energy: 0.153
local terms energy: -53.706844
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -89.616134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.616134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.616134 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.301
local terms energy: -46.309203
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -81.095493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.095493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.095493 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -30.265
Base-Backbone interact. energy: -0.575
local terms energy: -47.979974
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.213
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: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -224.277054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.277054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.277054 (E_RNA)
where:
Base-Base interactions energy: -151.944
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.460
local terms energy: -71.873174
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -221.470897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.470897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.470897 (E_RNA)
where:
Base-Base interactions energy: -147.984
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.130
local terms energy: -73.357009
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -11.547
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -213.210426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.210426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.210426 (E_RNA)
where:
Base-Base interactions energy: -137.629
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.736
local terms energy: -74.846286
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -194.318140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.318140 (E_RNA)
where:
Base-Base interactions energy: -125.107
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.100
local terms energy: -69.111225
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -16.078
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -179.120166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.120166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.120166 (E_RNA)
where:
Base-Base interactions energy: -109.937
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.207
local terms energy: -68.976033
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -15.510
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: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -173.065697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.065697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.065697 (E_RNA)
where:
Base-Base interactions energy: -110.436
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.049
local terms energy: -62.580923
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -12.097
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: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -180.456963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456963 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -59.354
Base-Backbone interact. energy: 0.046
local terms energy: -68.162249
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -123.453764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.453764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.453764 (E_RNA)
where:
Base-Base interactions energy: -62.065
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.272
local terms energy: -61.116450
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.645816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.645816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.645816 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.068
local terms energy: -52.480448
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -6.847
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -90.513043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.513043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.513043 (E_RNA)
where:
Base-Base interactions energy: -39.369
where: short stacking energy: -24.059
Base-Backbone interact. energy: 0.256
local terms energy: -51.400214
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -229.331253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.331253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.331253 (E_RNA)
where:
Base-Base interactions energy: -153.473
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.445
local terms energy: -75.412553
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -213.770686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.770686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.770686 (E_RNA)
where:
Base-Base interactions energy: -147.855
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.063
local terms energy: -65.852853
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -203.578266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.578266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.578266 (E_RNA)
where:
Base-Base interactions energy: -134.217
where: short stacking energy: -48.286
Base-Backbone interact. energy: -0.747
local terms energy: -68.614434
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -191.014155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.014155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.014155 (E_RNA)
where:
Base-Base interactions energy: -121.913
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.072
local terms energy: -69.029713
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -17.875
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: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -188.040221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.040221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.040221 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.004
local terms energy: -66.488658
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.960
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: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -165.106412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.106412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.106412 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -49.128
Base-Backbone interact. energy: -0.019
local terms energy: -50.130531
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -169.940430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.940430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.940430 (E_RNA)
where:
Base-Base interactions energy: -110.274
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.198
local terms energy: -59.468021
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -111.157244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.157244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.157244 (E_RNA)
where:
Base-Base interactions energy: -65.186
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.090
local terms energy: -45.881550
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: -2.868
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: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -87.398321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.398321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.398321 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -33.516
Base-Backbone interact. energy: -0.301
local terms energy: -53.881511
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -7.560
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: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.506025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506025 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -24.756
Base-Backbone interact. energy: -0.268
local terms energy: -55.021678
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -230.011993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.011993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.011993 (E_RNA)
where:
Base-Base interactions energy: -156.840
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.951
local terms energy: -72.221217
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -212.069171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069171 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -67.811
Base-Backbone interact. energy: -1.564
local terms energy: -67.730594
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -217.815035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.815035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.815035 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.105
local terms energy: -74.506373
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -11.939
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -197.092912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.092912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.092912 (E_RNA)
where:
Base-Base interactions energy: -136.768
where: short stacking energy: -56.307
Base-Backbone interact. energy: 0.248
local terms energy: -60.572753
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -186.026696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.026696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.026696 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -55.249
Base-Backbone interact. energy: 0.587
local terms energy: -66.609572
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -181.435219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.435219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.435219 (E_RNA)
where:
Base-Base interactions energy: -116.803
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.546
local terms energy: -64.086616
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -10.851
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: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -164.812716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.812716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812716 (E_RNA)
where:
Base-Base interactions energy: -100.560
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.990
local terms energy: -63.263145
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -95.761638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.761638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.761638 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.131
local terms energy: -53.444761
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -112.596940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.596940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.596940 (E_RNA)
where:
Base-Base interactions energy: -67.524
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.850
local terms energy: -44.222646
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -82.203634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.203634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.203634 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -29.754
Base-Backbone interact. energy: 0.447
local terms energy: -52.057764
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -203.836095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.836095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.836095 (E_RNA)
where:
Base-Base interactions energy: -134.013
where: short stacking energy: -65.320
Base-Backbone interact. energy: -0.005
local terms energy: -69.818360
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.451
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: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -218.517352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.517352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.517352 (E_RNA)
where:
Base-Base interactions energy: -141.893
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.096
local terms energy: -76.528744
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -10.645
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: 204
Temperature: 1.000000
Total energy: -203.593950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.593950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.593950 (E_RNA)
where:
Base-Base interactions energy: -133.704
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.510
local terms energy: -69.380073
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -212.668322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.668322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.668322 (E_RNA)
where:
Base-Base interactions energy: -140.494
where: short stacking energy: -71.382
Base-Backbone interact. energy: 0.469
local terms energy: -72.643025
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -186.043547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.043547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.043547 (E_RNA)
where:
Base-Base interactions energy: -116.901
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.001
local terms energy: -69.141473
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -167.181149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.181149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.181149 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -48.497
Base-Backbone interact. energy: 1.717
local terms energy: -59.946608
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -10.203
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: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -88.869147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.869147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.869147 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.183
local terms energy: -52.788918
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -5.084
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -144.801991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.801991 (E_RNA)
where:
Base-Base interactions energy: -85.405
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.878
local terms energy: -58.518552
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -124.532207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.532207 (E_RNA)
where:
Base-Base interactions energy: -73.845
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.206
local terms energy: -50.481087
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -12.771
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: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.395688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395688 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.455
local terms energy: -50.588237
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -3.528
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -207.870113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.870113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.870113 (E_RNA)
where:
Base-Base interactions energy: -127.615
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.001
local terms energy: -80.253829
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.537
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -213.810440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.810440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.810440 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.007
local terms energy: -72.563893
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -212.236000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.236000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.236000 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.145
local terms energy: -78.703834
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -208.134551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.134551 (E_RNA)
where:
Base-Base interactions energy: -145.001
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.245
local terms energy: -62.888388
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -8.263
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: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -187.021412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.021412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.021412 (E_RNA)
where:
Base-Base interactions energy: -124.556
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.262
local terms energy: -62.203524
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -185.160360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.160360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.160360 (E_RNA)
where:
Base-Base interactions energy: -126.178
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.112
local terms energy: -58.869953
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -82.289594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289594 (E_RNA)
where:
Base-Base interactions energy: -30.198
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.089
local terms energy: -52.002437
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.850
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: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -125.348676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.348676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.348676 (E_RNA)
where:
Base-Base interactions energy: -78.774
where: short stacking energy: -45.440
Base-Backbone interact. energy: -0.084
local terms energy: -46.490753
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -110.300854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.300854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.300854 (E_RNA)
where:
Base-Base interactions energy: -59.398
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.112
local terms energy: -50.791082
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -85.916433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.916433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.916433 (E_RNA)
where:
Base-Base interactions energy: -29.564
where: short stacking energy: -25.713
Base-Backbone interact. energy: -0.125
local terms energy: -56.227378
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -6.618
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -220.958233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.958233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.958233 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.004
local terms energy: -75.165326
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -16.997
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: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -211.113284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.113284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.113284 (E_RNA)
where:
Base-Base interactions energy: -137.611
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.242
local terms energy: -73.260749
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -214.734835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.734835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.734835 (E_RNA)
where:
Base-Base interactions energy: -148.929
where: short stacking energy: -63.681
Base-Backbone interact. energy: 1.527
local terms energy: -67.333363
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -186.033394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.033394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.033394 (E_RNA)
where:
Base-Base interactions energy: -125.613
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.174
local terms energy: -60.247181
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -189.207835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207835 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.358
local terms energy: -64.547018
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -176.064445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.064445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.064445 (E_RNA)
where:
Base-Base interactions energy: -126.735
where: short stacking energy: -45.845
Base-Backbone interact. energy: -0.505
local terms energy: -48.825072
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -153.035973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.035973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.035973 (E_RNA)
where:
Base-Base interactions energy: -95.059
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.588
local terms energy: -57.389024
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -89.015984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015984 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.015
local terms energy: -49.326218
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -9.976
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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -115.580168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.580168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.580168 (E_RNA)
where:
Base-Base interactions energy: -63.630
where: short stacking energy: -34.040
Base-Backbone interact. energy: -1.681
local terms energy: -50.268774
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -81.107608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107608 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.225
local terms energy: -50.720764
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -211.709861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.709861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.709861 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -66.527
Base-Backbone interact. energy: 0.544
local terms energy: -72.304097
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -12.014
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: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -209.394348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394348 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.786
local terms energy: -67.192457
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -215.547004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.547004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.547004 (E_RNA)
where:
Base-Base interactions energy: -142.142
where: short stacking energy: -56.675
Base-Backbone interact. energy: -1.302
local terms energy: -72.102930
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -194.992120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.992120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.992120 (E_RNA)
where:
Base-Base interactions energy: -127.827
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.067
local terms energy: -67.098202
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -189.049402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049402 (E_RNA)
where:
Base-Base interactions energy: -123.309
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.064
local terms energy: -65.676342
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -11.197
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: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -161.578450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.578450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.578450 (E_RNA)
where:
Base-Base interactions energy: -96.477
where: short stacking energy: -51.640
Base-Backbone interact. energy: -0.341
local terms energy: -64.760774
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.058449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.058449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.058449 (E_RNA)
where:
Base-Base interactions energy: -113.879
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.295
local terms energy: -61.884471
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -6.834
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: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -97.802998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.802998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.802998 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -35.477
Base-Backbone interact. energy: -0.125
local terms energy: -56.639023
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -85.033511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.033511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.033511 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -26.806
Base-Backbone interact. energy: 2.875
local terms energy: -53.620191
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -82.699233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699233 (E_RNA)
where:
Base-Base interactions energy: -27.662
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.083
local terms energy: -54.954720
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -10.536
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: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -233.272863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.272863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.272863 (E_RNA)
where:
Base-Base interactions energy: -158.582
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.297
local terms energy: -74.393720
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -12.292
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: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -210.019719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019719 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.539
local terms energy: -65.776512
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -6.850
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: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -193.305221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.305221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.305221 (E_RNA)
where:
Base-Base interactions energy: -129.273
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.007
local terms energy: -64.025902
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -215.395013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.395013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.395013 (E_RNA)
where:
Base-Base interactions energy: -147.954
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.266
local terms energy: -67.174787
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -198.175500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.175500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.175500 (E_RNA)
where:
Base-Base interactions energy: -139.701
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.028
local terms energy: -58.446603
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -16.814
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: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -157.427910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.427910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.427910 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -47.029
Base-Backbone interact. energy: 0.164
local terms energy: -59.788048
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.361
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -173.524517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.524517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.524517 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -44.182
Base-Backbone interact. energy: -0.128
local terms energy: -62.976533
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -8.239
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -98.392837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.392837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.392837 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.126
local terms energy: -58.418307
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -92.984878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984878 (E_RNA)
where:
Base-Base interactions energy: -40.338
where: short stacking energy: -25.050
Base-Backbone interact. energy: -0.338
local terms energy: -52.308471
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -83.922662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.922662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.922662 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.041
local terms energy: -52.039338
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -6.525
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -227.231573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.231573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.231573 (E_RNA)
where:
Base-Base interactions energy: -154.828
where: short stacking energy: -76.144
Base-Backbone interact. energy: -0.001
local terms energy: -72.402186
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -208.337154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337154 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.215
local terms energy: -74.761121
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -213.028958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.028958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.028958 (E_RNA)
where:
Base-Base interactions energy: -140.600
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.004
local terms energy: -72.424683
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -209.347802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.347802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.347802 (E_RNA)
where:
Base-Base interactions energy: -143.998
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.150
local terms energy: -65.200364
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -206.314423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.314423 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.002
local terms energy: -76.495901
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -22.086
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: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -179.744076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744076 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.207
local terms energy: -62.260484
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -10.847
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: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -126.462446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.462446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.462446 (E_RNA)
where:
Base-Base interactions energy: -70.124
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.084
local terms energy: -56.254742
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.701
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -85.439406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439406 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.104
local terms energy: -41.132467
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -2.633
tors. eta vs tors. theta energy: -3.002
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: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -92.551203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.551203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.551203 (E_RNA)
where:
Base-Base interactions energy: -41.247
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.031
local terms energy: -51.273998
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -80.107448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.107448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.107448 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.284
local terms energy: -48.593765
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -225.495206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.495206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.495206 (E_RNA)
where:
Base-Base interactions energy: -154.016
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.006
local terms energy: -71.473787
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -211.758051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.758051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.758051 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.735
local terms energy: -71.314808
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -209.591871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.591871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.591871 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -60.302
Base-Backbone interact. energy: 0.772
local terms energy: -64.769596
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -7.814
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: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -212.624341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.624341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.624341 (E_RNA)
where:
Base-Base interactions energy: -143.091
where: short stacking energy: -68.602
Base-Backbone interact. energy: -0.561
local terms energy: -68.972501
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -204.472111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.472111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.472111 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.002
local terms energy: -71.126347
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -176.685407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.685407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.685407 (E_RNA)
where:
Base-Base interactions energy: -118.318
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.103
local terms energy: -58.264844
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -103.125708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125708 (E_RNA)
where:
Base-Base interactions energy: -41.398
where: short stacking energy: -38.712
Base-Backbone interact. energy: -0.040
local terms energy: -61.687098
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -7.333
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: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -143.698414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.698414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.698414 (E_RNA)
where:
Base-Base interactions energy: -83.586
where: short stacking energy: -45.304
Base-Backbone interact. energy: -1.191
local terms energy: -58.921520
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -77.621556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.621556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.621556 (E_RNA)
where:
Base-Base interactions energy: -25.044
where: short stacking energy: -19.571
Base-Backbone interact. energy: -0.273
local terms energy: -52.304497
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -85.955077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.955077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.955077 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -27.320
Base-Backbone interact. energy: 0.279
local terms energy: -50.941243
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -224.823932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.823932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.823932 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.020
local terms energy: -68.039117
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.942
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -212.672904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672904 (E_RNA)
where:
Base-Base interactions energy: -138.732
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.096
local terms energy: -73.844983
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -203.525101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525101 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.004
local terms energy: -61.805085
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -198.815277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.815277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.815277 (E_RNA)
where:
Base-Base interactions energy: -139.991
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.129
local terms energy: -58.695168
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -200.681316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.681316 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.723
local terms energy: -66.625655
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -186.311958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.311958 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.172
local terms energy: -61.522307
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -91.801186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.801186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.801186 (E_RNA)
where:
Base-Base interactions energy: -42.149
where: short stacking energy: -28.444
Base-Backbone interact. energy: 0.193
local terms energy: -49.844611
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -140.485339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.485339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.485339 (E_RNA)
where:
Base-Base interactions energy: -82.685
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.449
local terms energy: -57.351744
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -81.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161495 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.047
local terms energy: -51.791215
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -1.249
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: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -70.789753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.789753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.789753 (E_RNA)
where:
Base-Base interactions energy: -25.077
where: short stacking energy: -13.618
Base-Backbone interact. energy: -0.427
local terms energy: -45.285256
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -218.345007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.345007 (E_RNA)
where:
Base-Base interactions energy: -143.166
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.051
local terms energy: -75.127295
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -218.640430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.640430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.640430 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.004
local terms energy: -73.137904
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -196.916765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.916765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.916765 (E_RNA)
where:
Base-Base interactions energy: -129.167
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.033
local terms energy: -67.716812
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.119
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: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -204.462572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.462572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.462572 (E_RNA)
where:
Base-Base interactions energy: -138.050
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.118
local terms energy: -66.294270
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -7.602
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -20.354
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: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -197.776894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.776894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.776894 (E_RNA)
where:
Base-Base interactions energy: -132.003
where: short stacking energy: -46.738
Base-Backbone interact. energy: -2.625
local terms energy: -63.148662
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -170.059266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.059266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.059266 (E_RNA)
where:
Base-Base interactions energy: -108.563
where: short stacking energy: -45.775
Base-Backbone interact. energy: -0.112
local terms energy: -61.383861
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -113.089212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.089212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.089212 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.127
local terms energy: -50.922451
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -102.147018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147018 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.145
local terms energy: -40.759627
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -87.998697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998697 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.149
local terms energy: -50.273869
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -83.190474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.190474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.190474 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.699
local terms energy: -43.404888
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -214.551669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551669 (E_RNA)
where:
Base-Base interactions energy: -147.637
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.028
local terms energy: -66.886567
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -216.080982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.080982 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.017
local terms energy: -65.570545
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -204.255611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.255611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.255611 (E_RNA)
where:
Base-Base interactions energy: -138.602
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.004
local terms energy: -65.649726
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -203.497221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.497221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.497221 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -58.927
Base-Backbone interact. energy: -0.307
local terms energy: -71.445087
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -191.085725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.085725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.085725 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.886
local terms energy: -62.563627
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -173.494109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.494109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.494109 (E_RNA)
where:
Base-Base interactions energy: -118.809
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.321
local terms energy: -54.364840
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -107.852471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.852471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.852471 (E_RNA)
where:
Base-Base interactions energy: -46.951
where: short stacking energy: -37.036
Base-Backbone interact. energy: -0.448
local terms energy: -60.453743
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -12.029
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -92.604957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.604957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.604957 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -19.680
Base-Backbone interact. energy: 0.995
local terms energy: -50.465882
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -2.517
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: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -85.872079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.872079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.872079 (E_RNA)
where:
Base-Base interactions energy: -35.066
where: short stacking energy: -24.338
Base-Backbone interact. energy: -0.098
local terms energy: -50.708714
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -73.247881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.247881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.247881 (E_RNA)
where:
Base-Base interactions energy: -21.228
where: short stacking energy: -21.480
Base-Backbone interact. energy: -0.220
local terms energy: -51.799762
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -213.878072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.878072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.878072 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.736
local terms energy: -74.539288
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.768
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: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -206.184569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184569 (E_RNA)
where:
Base-Base interactions energy: -137.252
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.933
local terms energy: -68.000154
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -197.686748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.686748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.686748 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.383
local terms energy: -71.651553
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -201.513901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.513901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.513901 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -61.827
Base-Backbone interact. energy: 2.535
local terms energy: -64.260137
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -190.369661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.369661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.369661 (E_RNA)
where:
Base-Base interactions energy: -125.971
where: short stacking energy: -57.654
Base-Backbone interact. energy: 0.772
local terms energy: -65.171024
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -191.812640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.812640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.812640 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -52.081
Base-Backbone interact. energy: 0.099
local terms energy: -67.786489
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -8.632
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: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -91.980249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.980249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.980249 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -24.414
Base-Backbone interact. energy: -0.166
local terms energy: -57.921884
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -1.411
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -93.713894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.713894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.713894 (E_RNA)
where:
Base-Base interactions energy: -44.201
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.312
local terms energy: -49.201068
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.528
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: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.523988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523988 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.118
local terms energy: -49.651429
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -74.133105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.133105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.133105 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.272
local terms energy: -41.181451
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -213.487433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.487433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.487433 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.005
local terms energy: -73.342242
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -220.570952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.570952 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.001
local terms energy: -71.457318
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -202.123320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123320 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.077
local terms energy: -67.339626
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -211.037654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.037654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.037654 (E_RNA)
where:
Base-Base interactions energy: -139.316
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.394
local terms energy: -71.327959
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -185.126916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.126916 (E_RNA)
where:
Base-Base interactions energy: -121.001
where: short stacking energy: -54.978
Base-Backbone interact. energy: -0.405
local terms energy: -63.720549
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -179.285366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.285366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.285366 (E_RNA)
where:
Base-Base interactions energy: -116.873
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.236
local terms energy: -62.176387
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -97.836212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836212 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.076
local terms energy: -61.387057
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -88.781214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781214 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.173
local terms energy: -52.255668
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -79.235597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235597 (E_RNA)
where:
Base-Base interactions energy: -28.225
where: short stacking energy: -18.111
Base-Backbone interact. energy: -0.868
local terms energy: -50.142203
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -72.202910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.202910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.202910 (E_RNA)
where:
Base-Base interactions energy: -22.745
where: short stacking energy: -19.567
Base-Backbone interact. energy: -0.155
local terms energy: -49.302725
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -2.278
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: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -219.762028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.762028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.762028 (E_RNA)
where:
Base-Base interactions energy: -148.647
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.006
local terms energy: -71.108453
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -15.508
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: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -205.238018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238018 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.092
local terms energy: -72.114882
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -214.877811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877811 (E_RNA)
where:
Base-Base interactions energy: -143.323
where: short stacking energy: -74.338
Base-Backbone interact. energy: -0.286
local terms energy: -71.268697
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -183.053736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.053736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053736 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.000
local terms energy: -68.429430
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -142.488341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.488341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.488341 (E_RNA)
where:
Base-Base interactions energy: -79.376
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.435
local terms energy: -62.677648
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -13.528
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -188.636060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.636060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.636060 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.807
local terms energy: -63.396150
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -84.290743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.290743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.290743 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -31.787
Base-Backbone interact. energy: 1.927
local terms energy: -54.430497
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -1.584
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -82.476222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.476222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.476222 (E_RNA)
where:
Base-Base interactions energy: -33.927
where: short stacking energy: -22.584
Base-Backbone interact. energy: -0.109
local terms energy: -48.439724
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.586
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: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -76.956393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.956393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.956393 (E_RNA)
where:
Base-Base interactions energy: -30.179
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.268
local terms energy: -46.509387
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: 2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -80.755520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755520 (E_RNA)
where:
Base-Base interactions energy: -27.561
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.123
local terms energy: -53.070540
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -216.019073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.019073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.019073 (E_RNA)
where:
Base-Base interactions energy: -142.445
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.002
local terms energy: -73.572344
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -218.353238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353238 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -69.103
Base-Backbone interact. energy: 0.788
local terms energy: -71.838793
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.346
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: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -199.490431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490431 (E_RNA)
where:
Base-Base interactions energy: -133.071
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.166
local terms energy: -66.254087
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.843
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: 217
Temperature: 1.050000
Total energy: -198.947925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.947925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.947925 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -58.302
Base-Backbone interact. energy: -1.445
local terms energy: -60.511858
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -188.435852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.435852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.435852 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.852
local terms energy: -64.041657
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -183.864799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.864799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864799 (E_RNA)
where:
Base-Base interactions energy: -118.489
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.073
local terms energy: -65.303031
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -94.983414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.983414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.983414 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.067
local terms energy: -61.475128
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -105.523172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.523172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.523172 (E_RNA)
where:
Base-Base interactions energy: -46.639
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.175
local terms energy: -58.710078
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -6.936
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: 217
Temperature: 1.300000
Total energy: -83.039757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039757 (E_RNA)
where:
Base-Base interactions energy: -39.390
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.051
local terms energy: -43.599205
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -5.113
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: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -81.826025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.826025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.826025 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.576
local terms energy: -47.931883
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.546
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: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -223.991362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991362 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.017
local terms energy: -74.309085
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -16.699
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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -215.878948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.878948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.878948 (E_RNA)
where:
Base-Base interactions energy: -142.641
where: short stacking energy: -76.986
Base-Backbone interact. energy: -0.029
local terms energy: -73.208387
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.399
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -211.924632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.924632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924632 (E_RNA)
where:
Base-Base interactions energy: -132.228
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.008
local terms energy: -79.688358
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -197.321540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.321540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.321540 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -59.044
Base-Backbone interact. energy: 1.537
local terms energy: -63.702846
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -195.431457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.431457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.431457 (E_RNA)
where:
Base-Base interactions energy: -122.255
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.053
local terms energy: -73.123394
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -183.581831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.581831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.581831 (E_RNA)
where:
Base-Base interactions energy: -113.257
where: short stacking energy: -56.963
Base-Backbone interact. energy: -1.130
local terms energy: -69.194192
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -13.039
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: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -86.975068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.975068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.975068 (E_RNA)
where:
Base-Base interactions energy: -43.169
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.161
local terms energy: -43.645024
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -7.375
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -94.579814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.579814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.579814 (E_RNA)
where:
Base-Base interactions energy: -41.586
where: short stacking energy: -21.952
Base-Backbone interact. energy: -0.125
local terms energy: -52.869113
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: 0.160
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -82.348932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.348932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.348932 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.011
local terms energy: -48.350448
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -81.978622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978622 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.189
local terms energy: -52.611905
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -225.327462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.327462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.327462 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.003
local terms energy: -73.362759
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -213.955767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.955767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.955767 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.668
local terms energy: -75.109534
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -203.131685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131685 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.032
local terms energy: -72.799972
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -204.585086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.585086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.585086 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.202
local terms energy: -72.790866
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -184.920256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.920256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.920256 (E_RNA)
where:
Base-Base interactions energy: -116.476
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.119
local terms energy: -68.326116
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.630
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: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -169.566906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.566906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.566906 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.692
local terms energy: -63.028765
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -103.278096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.278096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.278096 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -25.699
Base-Backbone interact. energy: -0.197
local terms energy: -60.923686
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -105.157984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.157984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.157984 (E_RNA)
where:
Base-Base interactions energy: -64.397
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.455
local terms energy: -40.305856
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -3.357
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: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -103.797685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797685 (E_RNA)
where:
Base-Base interactions energy: -57.852
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.302
local terms energy: -45.643047
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.450
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: 219
Temperature: 1.350000
Total energy: -89.415791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415791 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -20.702
Base-Backbone interact. energy: -0.037
local terms energy: -59.725211
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -228.691092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.691092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.691092 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -74.575
Base-Backbone interact. energy: -0.061
local terms energy: -77.485248
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -212.118657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.118657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.118657 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -72.838
Base-Backbone interact. energy: -0.174
local terms energy: -67.126030
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -201.968056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.968056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.968056 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.018
local terms energy: -71.335322
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -203.887550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887550 (E_RNA)
where:
Base-Base interactions energy: -136.505
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.006
local terms energy: -67.376334
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -189.354274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.354274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.354274 (E_RNA)
where:
Base-Base interactions energy: -123.699
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.118
local terms energy: -65.537502
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -166.859888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.859888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.859888 (E_RNA)
where:
Base-Base interactions energy: -114.866
where: short stacking energy: -43.006
Base-Backbone interact. energy: -0.544
local terms energy: -51.450204
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -12.636
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: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -126.111758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.111758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.111758 (E_RNA)
where:
Base-Base interactions energy: -68.899
where: short stacking energy: -36.053
Base-Backbone interact. energy: 0.229
local terms energy: -57.441779
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -86.170988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.170988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.170988 (E_RNA)
where:
Base-Base interactions energy: -38.355
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.074
local terms energy: -47.741450
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -5.884
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: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -82.409667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409667 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.407
local terms energy: -52.772812
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -4.806
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: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -74.317471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.317471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.317471 (E_RNA)
where:
Base-Base interactions energy: -18.447
where: short stacking energy: -18.447
Base-Backbone interact. energy: -0.036
local terms energy: -55.835221
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -2.899
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -216.889226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889226 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.007
local terms energy: -71.063218
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -203.386712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.386712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.386712 (E_RNA)
where:
Base-Base interactions energy: -135.465
where: short stacking energy: -65.292
Base-Backbone interact. energy: 1.375
local terms energy: -69.296866
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -215.051190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051190 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.857
local terms energy: -63.270236
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.748
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: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -205.140021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140021 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.002
local terms energy: -66.452873
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -182.714091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714091 (E_RNA)
where:
Base-Base interactions energy: -119.656
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.070
local terms energy: -62.987929
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -16.750
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -170.966316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.966316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.966316 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -45.644
Base-Backbone interact. energy: 0.623
local terms energy: -62.757563
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -10.833
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: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -127.460298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.460298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.460298 (E_RNA)
where:
Base-Base interactions energy: -75.966
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.156
local terms energy: -51.338302
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -88.550521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.550521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.550521 (E_RNA)
where:
Base-Base interactions energy: -42.725
where: short stacking energy: -27.024
Base-Backbone interact. energy: 2.593
local terms energy: -48.419019
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -96.915625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.915625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.915625 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -37.620
Base-Backbone interact. energy: -0.011
local terms energy: -58.034755
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -9.807
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -76.875840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875840 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.820
local terms energy: -43.111355
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -11.984
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: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -211.132107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.132107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.132107 (E_RNA)
where:
Base-Base interactions energy: -143.635
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.253
local terms energy: -67.244500
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -217.054638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.054638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.054638 (E_RNA)
where:
Base-Base interactions energy: -145.661
where: short stacking energy: -66.009
Base-Backbone interact. energy: 0.617
local terms energy: -72.010745
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -216.415401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415401 (E_RNA)
where:
Base-Base interactions energy: -143.500
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.245
local terms energy: -72.670235
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -199.273074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.273074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.273074 (E_RNA)
where:
Base-Base interactions energy: -134.345
where: short stacking energy: -59.519
Base-Backbone interact. energy: -1.065
local terms energy: -63.862918
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.466
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -190.541783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.541783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.541783 (E_RNA)
where:
Base-Base interactions energy: -121.828
where: short stacking energy: -62.211
Base-Backbone interact. energy: -0.512
local terms energy: -68.201547
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -177.722153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.722153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.722153 (E_RNA)
where:
Base-Base interactions energy: -115.165
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.290
local terms energy: -62.267312
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -122.093780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.093780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.093780 (E_RNA)
where:
Base-Base interactions energy: -70.554
where: short stacking energy: -40.137
Base-Backbone interact. energy: -0.184
local terms energy: -51.356339
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.827
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -81.370466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.370466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.370466 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -25.141
Base-Backbone interact. energy: 0.179
local terms energy: -56.508386
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -77.357232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.357232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.357232 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -19.212
Base-Backbone interact. energy: -0.426
local terms energy: -43.232279
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -3.780
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: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -90.986867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986867 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -22.602
Base-Backbone interact. energy: -0.215
local terms energy: -50.505749
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -0.203
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: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -212.932933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.932933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.932933 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.063
local terms energy: -74.918529
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -218.733030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.733030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.733030 (E_RNA)
where:
Base-Base interactions energy: -147.816
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.723
local terms energy: -70.193392
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -215.450365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.450365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.450365 (E_RNA)
where:
Base-Base interactions energy: -135.550
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.894
local terms energy: -79.006249
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -212.809996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.809996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.809996 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.025
local terms energy: -70.485052
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -193.746583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.746583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.746583 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -69.692
Base-Backbone interact. energy: -0.503
local terms energy: -75.434782
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -175.033448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.033448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.033448 (E_RNA)
where:
Base-Base interactions energy: -116.675
where: short stacking energy: -60.500
Base-Backbone interact. energy: 0.387
local terms energy: -58.744870
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -131.946402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.946402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.946402 (E_RNA)
where:
Base-Base interactions energy: -73.249
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.095
local terms energy: -58.602330
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -84.754166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754166 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.103
local terms energy: -52.701197
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -94.581141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.581141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.581141 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.175
local terms energy: -55.811506
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -106.378319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.378319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.378319 (E_RNA)
where:
Base-Base interactions energy: -62.608
where: short stacking energy: -33.589
Base-Backbone interact. energy: 0.283
local terms energy: -44.052981
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -0.907
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: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -212.385373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.385373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.385373 (E_RNA)
where:
Base-Base interactions energy: -136.749
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.064
local terms energy: -75.571855
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -217.422892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422892 (E_RNA)
where:
Base-Base interactions energy: -145.250
where: short stacking energy: -71.308
Base-Backbone interact. energy: -0.095
local terms energy: -72.078293
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -202.792020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.792020 (E_RNA)
where:
Base-Base interactions energy: -144.901
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.044
local terms energy: -57.847192
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -2.076
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -210.207242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.207242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.207242 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.546
local terms energy: -70.248986
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -190.118240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.118240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.118240 (E_RNA)
where:
Base-Base interactions energy: -126.163
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.070
local terms energy: -63.885621
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -9.277
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -201.440791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.440791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.440791 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.880
local terms energy: -62.892157
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -1.564
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -127.269758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.269758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.269758 (E_RNA)
where:
Base-Base interactions energy: -68.966
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.057
local terms energy: -58.246773
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -82.599818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599818 (E_RNA)
where:
Base-Base interactions energy: -29.212
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.119
local terms energy: -53.268265
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -107.328407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.328407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.328407 (E_RNA)
where:
Base-Base interactions energy: -60.148
where: short stacking energy: -27.006
Base-Backbone interact. energy: -2.043
local terms energy: -45.137535
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: 0.284
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -93.587100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.587100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.587100 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.143
local terms energy: -55.123407
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -7.127
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: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -211.451200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.451200 (E_RNA)
where:
Base-Base interactions energy: -135.138
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.062
local terms energy: -76.250739
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -199.320346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320346 (E_RNA)
where:
Base-Base interactions energy: -134.441
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.019
local terms energy: -64.860588
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -212.237462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237462 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.004
local terms energy: -63.377005
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -201.694950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.694950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.694950 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.068
local terms energy: -63.533923
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -201.790427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.790427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.790427 (E_RNA)
where:
Base-Base interactions energy: -136.577
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.124
local terms energy: -65.090170
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -183.127751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.127751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.127751 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.095
local terms energy: -66.211439
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.441
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: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -108.542106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.542106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.542106 (E_RNA)
where:
Base-Base interactions energy: -51.529
where: short stacking energy: -51.529
Base-Backbone interact. energy: -0.316
local terms energy: -56.697065
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -85.452156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.452156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.452156 (E_RNA)
where:
Base-Base interactions energy: -37.898
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.159
local terms energy: -47.394861
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -78.983310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.983310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.983310 (E_RNA)
where:
Base-Base interactions energy: -19.325
where: short stacking energy: -19.325
Base-Backbone interact. energy: -0.159
local terms energy: -59.499797
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -9.356
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -87.337386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.337386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.337386 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -22.904
Base-Backbone interact. energy: 1.994
local terms energy: -56.730444
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -213.985167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.985167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.985167 (E_RNA)
where:
Base-Base interactions energy: -140.737
where: short stacking energy: -66.611
Base-Backbone interact. energy: -0.983
local terms energy: -72.264866
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -213.996658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.996658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.996658 (E_RNA)
where:
Base-Base interactions energy: -145.292
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.005
local terms energy: -68.699876
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -196.700269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700269 (E_RNA)
where:
Base-Base interactions energy: -126.115
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.118
local terms energy: -70.467247
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -204.376721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.376721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.376721 (E_RNA)
where:
Base-Base interactions energy: -136.544
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.249
local terms energy: -67.583229
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -7.533
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: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -192.660642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.660642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.660642 (E_RNA)
where:
Base-Base interactions energy: -127.912
where: short stacking energy: -53.566
Base-Backbone interact. energy: 0.033
local terms energy: -64.781860
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -201.577388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.577388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.577388 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -62.566
Base-Backbone interact. energy: -1.701
local terms energy: -67.381314
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -91.300736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.300736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.300736 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -28.048
Base-Backbone interact. energy: 3.450
local terms energy: -53.984268
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -87.026664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026664 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -26.044
Base-Backbone interact. energy: -0.160
local terms energy: -51.735237
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -3.697
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -83.161291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161291 (E_RNA)
where:
Base-Base interactions energy: -33.981
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.154
local terms energy: -49.026994
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -6.245
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: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.361323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.361323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.361323 (E_RNA)
where:
Base-Base interactions energy: -25.504
where: short stacking energy: -25.504
Base-Backbone interact. energy: -0.125
local terms energy: -51.732594
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -222.627016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.627016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627016 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.004
local terms energy: -76.777300
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -198.592367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.592367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592367 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.310
local terms energy: -67.196778
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -204.563059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.563059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.563059 (E_RNA)
where:
Base-Base interactions energy: -138.270
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.028
local terms energy: -66.265154
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -204.915274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.915274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915274 (E_RNA)
where:
Base-Base interactions energy: -145.067
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.001
local terms energy: -59.847785
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -0.849
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -195.475757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.475757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.475757 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.156
local terms energy: -65.526573
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -197.571557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.571557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.571557 (E_RNA)
where:
Base-Base interactions energy: -138.975
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.887
local terms energy: -57.708899
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -4.843
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: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -115.854113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.854113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.854113 (E_RNA)
where:
Base-Base interactions energy: -61.736
where: short stacking energy: -48.886
Base-Backbone interact. energy: -0.018
local terms energy: -54.100348
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -83.945470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.945470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.945470 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -22.643
Base-Backbone interact. energy: -0.071
local terms energy: -51.670696
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -97.237591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237591 (E_RNA)
where:
Base-Base interactions energy: -52.014
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.146
local terms energy: -45.078046
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -6.669
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -97.498219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.498219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.498219 (E_RNA)
where:
Base-Base interactions energy: -43.665
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.002
local terms energy: -53.831298
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -207.799315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.799315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.799315 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -67.428
Base-Backbone interact. energy: 0.007
local terms energy: -67.064584
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -215.970560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970560 (E_RNA)
where:
Base-Base interactions energy: -145.076
where: short stacking energy: -72.020
Base-Backbone interact. energy: -1.644
local terms energy: -69.250722
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -209.024030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.024030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.024030 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.098
local terms energy: -65.323439
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.851
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: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -188.489860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.489860 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -54.328
Base-Backbone interact. energy: -0.222
local terms energy: -59.230534
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.716
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: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -198.129931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.129931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.129931 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -55.312
Base-Backbone interact. energy: 2.020
local terms energy: -69.698447
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -9.894
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: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -196.393483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.393483 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.016
local terms energy: -58.756056
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -103.707274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.707274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.707274 (E_RNA)
where:
Base-Base interactions energy: -53.963
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.515
local terms energy: -49.229395
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -9.172
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -86.634048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.634048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.634048 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -26.306
Base-Backbone interact. energy: -0.099
local terms energy: -41.483971
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -96.085942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.085942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.085942 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.139
local terms energy: -54.200665
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -84.132458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132458 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.106
local terms energy: -50.904862
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -209.238524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.238524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.238524 (E_RNA)
where:
Base-Base interactions energy: -132.093
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.345
local terms energy: -76.801266
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -19.565
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: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -212.229338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.229338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.229338 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.011
local terms energy: -70.520138
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -209.877223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877223 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -59.160
Base-Backbone interact. energy: 0.023
local terms energy: -77.028815
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -213.325885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325885 (E_RNA)
where:
Base-Base interactions energy: -139.156
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.035
local terms energy: -74.134250
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -15.901
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: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -204.781690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.781690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.781690 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.170
local terms energy: -68.528329
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -193.120473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.120473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.120473 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.147
local terms energy: -59.314571
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -8.368
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: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -83.579002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579002 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.688
local terms energy: -51.959642
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: 0.665
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: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -109.298489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.298489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.298489 (E_RNA)
where:
Base-Base interactions energy: -59.962
where: short stacking energy: -40.013
Base-Backbone interact. energy: -0.019
local terms energy: -49.317262
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -5.679
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: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -81.635548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.635548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.635548 (E_RNA)
where:
Base-Base interactions energy: -29.424
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.215
local terms energy: -51.997023
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -94.780152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.780152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.780152 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.072
local terms energy: -50.206310
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -220.809908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809908 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -68.505
Base-Backbone interact. energy: -0.016
local terms energy: -71.341282
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.724
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -204.269445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.269445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.269445 (E_RNA)
where:
Base-Base interactions energy: -132.181
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.219
local terms energy: -71.869486
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.094
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: 230
Temperature: 1.000000
Total energy: -218.730388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730388 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -60.960
Base-Backbone interact. energy: 1.555
local terms energy: -70.254347
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -17.307
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: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -197.610426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610426 (E_RNA)
where:
Base-Base interactions energy: -131.383
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.086
local terms energy: -66.140912
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.333
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: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -183.461451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.461451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.461451 (E_RNA)
where:
Base-Base interactions energy: -118.744
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.155
local terms energy: -64.562906
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -185.655263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.655263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655263 (E_RNA)
where:
Base-Base interactions energy: -120.653
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.853
local terms energy: -64.148607
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -9.519
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: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -96.664839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.664839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.664839 (E_RNA)
where:
Base-Base interactions energy: -53.257
where: short stacking energy: -32.605
Base-Backbone interact. energy: 3.888
local terms energy: -47.295982
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.157
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: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -87.622960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.622960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.622960 (E_RNA)
where:
Base-Base interactions energy: -46.069
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.244
local terms energy: -41.309152
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -3.628
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -83.293332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293332 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.643
local terms energy: -45.739566
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -98.612813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.612813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.612813 (E_RNA)
where:
Base-Base interactions energy: -52.243
where: short stacking energy: -30.106
Base-Backbone interact. energy: -1.326
local terms energy: -45.044217
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -6.272
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: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -223.343224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.343224 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.034
local terms energy: -70.470656
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -214.883613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.883613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.883613 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.368
local terms energy: -72.277122
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -205.828492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828492 (E_RNA)
where:
Base-Base interactions energy: -133.907
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.009
local terms energy: -71.912220
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.365
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -191.777072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.777072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.777072 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.004
local terms energy: -67.545545
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -194.955815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.955815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.955815 (E_RNA)
where:
Base-Base interactions energy: -126.840
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.115
local terms energy: -68.000599
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -13.025
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: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -197.554610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.554610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.554610 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.994
local terms energy: -69.342326
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -106.495269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.495269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.495269 (E_RNA)
where:
Base-Base interactions energy: -59.011
where: short stacking energy: -27.413
Base-Backbone interact. energy: -0.475
local terms energy: -47.009777
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -3.139
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: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -86.272203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272203 (E_RNA)
where:
Base-Base interactions energy: -40.372
where: short stacking energy: -25.636
Base-Backbone interact. energy: -0.216
local terms energy: -45.684416
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -81.289619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.289619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.289619 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.186
local terms energy: -43.668859
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: -0.393
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -83.578061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578061 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.391
local terms energy: -51.726320
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -237.001547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.001547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.001547 (E_RNA)
where:
Base-Base interactions energy: -162.265
where: short stacking energy: -62.710
Base-Backbone interact. energy: -1.069
local terms energy: -73.667177
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -15.077
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: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -219.278705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278705 (E_RNA)
where:
Base-Base interactions energy: -148.452
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.008
local terms energy: -70.818821
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -11.397
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -202.379046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.379046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.379046 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.001
local terms energy: -72.700508
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -198.893076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.893076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.893076 (E_RNA)
where:
Base-Base interactions energy: -132.931
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.592
local terms energy: -65.370111
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -188.864323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.864323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.864323 (E_RNA)
where:
Base-Base interactions energy: -123.598
where: short stacking energy: -51.669
Base-Backbone interact. energy: 0.397
local terms energy: -65.662842
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -203.988096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.988096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.988096 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.120
local terms energy: -62.903240
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.543
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: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -145.169980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.169980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.169980 (E_RNA)
where:
Base-Base interactions energy: -96.992
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.093
local terms energy: -48.084885
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -4.586
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -87.846908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.846908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.846908 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.002
local terms energy: -44.222684
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -7.654
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -83.066174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066174 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.170
local terms energy: -50.739749
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -82.205777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.205777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.205777 (E_RNA)
where:
Base-Base interactions energy: -29.187
where: short stacking energy: -28.546
Base-Backbone interact. energy: -0.174
local terms energy: -52.844530
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -232.859133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.859133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.859133 (E_RNA)
where:
Base-Base interactions energy: -157.074
where: short stacking energy: -73.194
Base-Backbone interact. energy: -1.007
local terms energy: -74.777866
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -205.631464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.631464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.631464 (E_RNA)
where:
Base-Base interactions energy: -136.094
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.010
local terms energy: -69.527711
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -202.521729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.521729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.521729 (E_RNA)
where:
Base-Base interactions energy: -122.381
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.032
local terms energy: -80.108821
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -186.232427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232427 (E_RNA)
where:
Base-Base interactions energy: -117.834
where: short stacking energy: -61.404
Base-Backbone interact. energy: -0.856
local terms energy: -67.542294
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.332
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: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -197.398519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.398519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.398519 (E_RNA)
where:
Base-Base interactions energy: -129.521
where: short stacking energy: -63.046
Base-Backbone interact. energy: 0.111
local terms energy: -67.987915
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.014
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: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -176.778907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.778907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.778907 (E_RNA)
where:
Base-Base interactions energy: -107.062
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.011
local terms energy: -69.706207
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -143.034617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.034617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.034617 (E_RNA)
where:
Base-Base interactions energy: -85.209
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.138
local terms energy: -57.688440
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -90.636082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.636082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.636082 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.006
local terms energy: -60.778158
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -9.072
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: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -73.288473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.288473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.288473 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.183
local terms energy: -46.241957
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -73.536209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.536209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.536209 (E_RNA)
where:
Base-Base interactions energy: -25.066
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.364
local terms energy: -48.106161
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -5.368
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: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -234.751056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.751056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.751056 (E_RNA)
where:
Base-Base interactions energy: -164.239
where: short stacking energy: -67.387
Base-Backbone interact. energy: -0.458
local terms energy: -70.054864
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -16.895
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: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -209.923045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.923045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.923045 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -66.117
Base-Backbone interact. energy: -0.006
local terms energy: -73.402705
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -193.362260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362260 (E_RNA)
where:
Base-Base interactions energy: -126.246
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.151
local terms energy: -66.966005
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -197.241652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241652 (E_RNA)
where:
Base-Base interactions energy: -131.471
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.044
local terms energy: -65.726138
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -9.135
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: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -186.638491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.638491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.638491 (E_RNA)
where:
Base-Base interactions energy: -124.362
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.641
local terms energy: -61.635561
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -185.773587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.773587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.773587 (E_RNA)
where:
Base-Base interactions energy: -119.177
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.507
local terms energy: -66.089794
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -137.027692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.027692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.027692 (E_RNA)
where:
Base-Base interactions energy: -86.294
where: short stacking energy: -43.249
Base-Backbone interact. energy: -0.001
local terms energy: -50.732218
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -98.303146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.303146 (E_RNA)
where:
Base-Base interactions energy: -43.281
where: short stacking energy: -39.325
Base-Backbone interact. energy: 0.175
local terms energy: -55.197470
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -88.929694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.929694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.929694 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.188
local terms energy: -59.140257
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.927991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927991 (E_RNA)
where:
Base-Base interactions energy: -38.247
where: short stacking energy: -33.432
Base-Backbone interact. energy: 0.887
local terms energy: -44.567590
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -5.196
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -231.704454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.704454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.704454 (E_RNA)
where:
Base-Base interactions energy: -162.679
where: short stacking energy: -63.242
Base-Backbone interact. energy: 1.288
local terms energy: -70.313014
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -199.624867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.624867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.624867 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.182
local terms energy: -66.305755
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -204.511234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.511234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.511234 (E_RNA)
where:
Base-Base interactions energy: -139.281
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.001
local terms energy: -65.229258
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -190.708134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.708134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.708134 (E_RNA)
where:
Base-Base interactions energy: -121.337
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.323
local terms energy: -69.047922
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -176.992937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.992937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.992937 (E_RNA)
where:
Base-Base interactions energy: -106.240
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.438
local terms energy: -70.315279
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -181.993104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.993104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.993104 (E_RNA)
where:
Base-Base interactions energy: -111.517
where: short stacking energy: -53.230
Base-Backbone interact. energy: -0.002
local terms energy: -70.473801
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -136.190202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.190202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.190202 (E_RNA)
where:
Base-Base interactions energy: -75.950
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.131
local terms energy: -60.108990
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -81.778487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.778487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.778487 (E_RNA)
where:
Base-Base interactions energy: -30.342
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.608
local terms energy: -50.828622
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -7.334
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -81.885293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.885293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.885293 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.078
local terms energy: -53.017899
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -82.641387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641387 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -16.203
Base-Backbone interact. energy: -0.103
local terms energy: -48.820338
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -238.134119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.134119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.134119 (E_RNA)
where:
Base-Base interactions energy: -167.439
where: short stacking energy: -69.709
Base-Backbone interact. energy: 0.155
local terms energy: -70.850882
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.069
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: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -218.670319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.670319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.670319 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.100
local terms energy: -77.306381
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -199.134763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134763 (E_RNA)
where:
Base-Base interactions energy: -129.431
where: short stacking energy: -67.584
Base-Backbone interact. energy: -0.001
local terms energy: -69.702807
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -205.905902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.905902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905902 (E_RNA)
where:
Base-Base interactions energy: -137.013
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.314
local terms energy: -68.578320
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.291
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: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -184.139576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.139576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.139576 (E_RNA)
where:
Base-Base interactions energy: -128.797
where: short stacking energy: -61.937
Base-Backbone interact. energy: -0.162
local terms energy: -55.180942
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -191.767147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.767147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.767147 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.116
local terms energy: -65.166847
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -93.813277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813277 (E_RNA)
where:
Base-Base interactions energy: -37.166
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.446
local terms energy: -56.201363
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -5.446
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: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -122.871281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.871281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.871281 (E_RNA)
where:
Base-Base interactions energy: -71.402
where: short stacking energy: -32.920
Base-Backbone interact. energy: 0.916
local terms energy: -52.385952
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.803251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.803251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.803251 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.843
local terms energy: -45.111907
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -78.884874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.884874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.884874 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -19.573
Base-Backbone interact. energy: -0.109
local terms energy: -59.203293
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -230.145895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.145895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.145895 (E_RNA)
where:
Base-Base interactions energy: -154.782
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.175
local terms energy: -75.188485
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -214.823476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.823476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.823476 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.350
local terms energy: -71.226123
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -192.696703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.696703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696703 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.101
local terms energy: -74.599394
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -191.769417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.769417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.769417 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -48.571
Base-Backbone interact. energy: -0.110
local terms energy: -63.368533
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -187.422315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422315 (E_RNA)
where:
Base-Base interactions energy: -124.340
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.233
local terms energy: -62.850029
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -177.802726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.802726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.802726 (E_RNA)
where:
Base-Base interactions energy: -115.753
where: short stacking energy: -52.372
Base-Backbone interact. energy: -0.001
local terms energy: -62.048032
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -7.754
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: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -84.901444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.901444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.901444 (E_RNA)
where:
Base-Base interactions energy: -32.647
where: short stacking energy: -17.942
Base-Backbone interact. energy: -1.767
local terms energy: -50.488035
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: 2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -146.104364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.104364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.104364 (E_RNA)
where:
Base-Base interactions energy: -89.820
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.374
local terms energy: -55.909834
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -5.222
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: 237
Temperature: 1.300000
Total energy: -99.641916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.641916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.641916 (E_RNA)
where:
Base-Base interactions energy: -54.419
where: short stacking energy: -41.940
Base-Backbone interact. energy: 1.104
local terms energy: -46.326712
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -7.313
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.003219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003219 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -32.254
Base-Backbone interact. energy: -0.024
local terms energy: -48.030717
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -5.145
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: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -227.581286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.581286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.581286 (E_RNA)
where:
Base-Base interactions energy: -157.939
where: short stacking energy: -71.721
Base-Backbone interact. energy: -0.458
local terms energy: -69.183771
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -16.476
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: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -214.959643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.959643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.959643 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -60.003
Base-Backbone interact. energy: -0.485
local terms energy: -67.329210
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.541445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.541445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.541445 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -62.935
Base-Backbone interact. energy: -0.012
local terms energy: -72.208526
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -194.390096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.390096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.390096 (E_RNA)
where:
Base-Base interactions energy: -129.978
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.044
local terms energy: -64.368353
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -193.380258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.380258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380258 (E_RNA)
where:
Base-Base interactions energy: -121.389
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.113
local terms energy: -71.877780
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -178.204719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.204719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.204719 (E_RNA)
where:
Base-Base interactions energy: -112.940
where: short stacking energy: -54.959
Base-Backbone interact. energy: -1.584
local terms energy: -63.680263
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -129.806454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.806454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.806454 (E_RNA)
where:
Base-Base interactions energy: -69.892
where: short stacking energy: -31.154
Base-Backbone interact. energy: -1.208
local terms energy: -58.707001
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -136.786481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.786481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.786481 (E_RNA)
where:
Base-Base interactions energy: -88.416
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.568
local terms energy: -47.802338
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -90.552784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.552784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.552784 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.204
local terms energy: -56.603590
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -7.189
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -78.605258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.605258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.605258 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.275
local terms energy: -50.349090
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -226.928188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.928188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.928188 (E_RNA)
where:
Base-Base interactions energy: -152.892
where: short stacking energy: -69.396
Base-Backbone interact. energy: 0.802
local terms energy: -74.837858
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -221.078050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.078050 (E_RNA)
where:
Base-Base interactions energy: -145.665
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.003
local terms energy: -75.409675
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -223.980598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.980598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.980598 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.145
local terms energy: -67.762422
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -202.201758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201758 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.006
local terms energy: -67.629068
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -201.005812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005812 (E_RNA)
where:
Base-Base interactions energy: -134.992
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.044
local terms energy: -65.970427
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -18.765
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -162.176460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.176460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.176460 (E_RNA)
where:
Base-Base interactions energy: -101.394
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.341
local terms energy: -60.441126
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -151.429016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.429016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.429016 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.383
local terms energy: -50.684599
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -135.310911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.310911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.310911 (E_RNA)
where:
Base-Base interactions energy: -79.437
where: short stacking energy: -35.859
Base-Backbone interact. energy: -1.269
local terms energy: -54.605150
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -78.749787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749787 (E_RNA)
where:
Base-Base interactions energy: -29.819
where: short stacking energy: -29.819
Base-Backbone interact. energy: 0.021
local terms energy: -48.951397
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -74.836841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.836841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.836841 (E_RNA)
where:
Base-Base interactions energy: -28.440
where: short stacking energy: -26.073
Base-Backbone interact. energy: -0.816
local terms energy: -45.580973
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: 1.245
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: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -216.899454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899454 (E_RNA)
where:
Base-Base interactions energy: -144.288
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.007
local terms energy: -72.604733
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -220.585208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.585208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.585208 (E_RNA)
where:
Base-Base interactions energy: -151.103
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.111
local terms energy: -69.371271
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -200.482336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.482336 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.124
local terms energy: -76.283733
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.137
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: 240
Temperature: 1.050000
Total energy: -200.432254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.432254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.432254 (E_RNA)
where:
Base-Base interactions energy: -153.205
where: short stacking energy: -49.610
Base-Backbone interact. energy: -1.329
local terms energy: -45.898717
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -4.602
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -6.493
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: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -190.604939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.604939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.604939 (E_RNA)
where:
Base-Base interactions energy: -122.303
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.099
local terms energy: -68.203427
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.591
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: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -168.778030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.778030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.778030 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -46.245
Base-Backbone interact. energy: -0.947
local terms energy: -55.259741
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -137.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.236054 (E_RNA)
where:
Base-Base interactions energy: -78.777
where: short stacking energy: -39.116
Base-Backbone interact. energy: 1.095
local terms energy: -59.553373
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -141.431790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.431790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.431790 (E_RNA)
where:
Base-Base interactions energy: -88.842
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.113
local terms energy: -52.476334
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -80.860019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860019 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -33.268
Base-Backbone interact. energy: -0.317
local terms energy: -47.274321
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -79.526917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.526917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.526917 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -18.228
Base-Backbone interact. energy: -0.342
local terms energy: -45.301848
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -218.196536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.196536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.196536 (E_RNA)
where:
Base-Base interactions energy: -153.893
where: short stacking energy: -64.988
Base-Backbone interact. energy: 0.002
local terms energy: -64.304977
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -13.170
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: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -210.577987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.577987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.577987 (E_RNA)
where:
Base-Base interactions energy: -137.687
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.043
local terms energy: -72.848330
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -222.901910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.901910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.901910 (E_RNA)
where:
Base-Base interactions energy: -158.349
where: short stacking energy: -69.296
Base-Backbone interact. energy: -1.300
local terms energy: -63.253550
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -207.095002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095002 (E_RNA)
where:
Base-Base interactions energy: -135.665
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.012
local terms energy: -71.417949
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -206.990474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990474 (E_RNA)
where:
Base-Base interactions energy: -141.689
where: short stacking energy: -72.268
Base-Backbone interact. energy: 0.575
local terms energy: -65.876355
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -10.383
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: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -177.543009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.543009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.543009 (E_RNA)
where:
Base-Base interactions energy: -113.076
where: short stacking energy: -54.337
Base-Backbone interact. energy: -0.450
local terms energy: -64.016367
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -11.354
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: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -123.369702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.369702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.369702 (E_RNA)
where:
Base-Base interactions energy: -67.226
where: short stacking energy: -21.677
Base-Backbone interact. energy: -0.206
local terms energy: -55.937944
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -151.706708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.706708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.706708 (E_RNA)
where:
Base-Base interactions energy: -93.104
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.021
local terms energy: -58.581756
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -88.532329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.532329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.532329 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.011
local terms energy: -57.257972
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -86.766008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.766008 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -32.025
Base-Backbone interact. energy: 3.493
local terms energy: -58.234574
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -218.858282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.858282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.858282 (E_RNA)
where:
Base-Base interactions energy: -146.681
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.002
local terms energy: -72.175280
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -217.312106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.312106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.312106 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.140
local terms energy: -74.692647
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -13.758
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: 242
Temperature: 1.000000
Total energy: -208.202997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202997 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.706
local terms energy: -59.720345
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -186.574196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574196 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.020
local terms energy: -61.955752
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -164.229311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.229311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.229311 (E_RNA)
where:
Base-Base interactions energy: -103.835
where: short stacking energy: -43.362
Base-Backbone interact. energy: -1.023
local terms energy: -59.371734
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -8.020
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -194.705320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.705320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.705320 (E_RNA)
where:
Base-Base interactions energy: -135.750
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.012
local terms energy: -58.943652
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -12.652
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: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -149.380939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.380939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.380939 (E_RNA)
where:
Base-Base interactions energy: -90.853
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.001
local terms energy: -58.527177
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -126.146104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.146104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.146104 (E_RNA)
where:
Base-Base interactions energy: -83.676
where: short stacking energy: -33.218
Base-Backbone interact. energy: 1.575
local terms energy: -44.044963
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -2.741
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: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -77.531784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.531784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.531784 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.005
local terms energy: -47.935014
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -1.386
tors. eta vs tors. theta energy: -4.086
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: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -86.198151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198151 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -20.816
Base-Backbone interact. energy: -0.598
local terms energy: -52.448564
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -221.228780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.228780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.228780 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -71.270
Base-Backbone interact. energy: -0.011
local terms energy: -75.707752
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -210.073987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.073987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.073987 (E_RNA)
where:
Base-Base interactions energy: -143.354
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.206
local terms energy: -66.514164
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -207.719297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.719297 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.003
local terms energy: -67.786543
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -171.760540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.760540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.760540 (E_RNA)
where:
Base-Base interactions energy: -116.621
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.187
local terms energy: -54.952364
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -5.996
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -196.456008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.456008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.456008 (E_RNA)
where:
Base-Base interactions energy: -142.402
where: short stacking energy: -66.751
Base-Backbone interact. energy: 0.363
local terms energy: -54.417175
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -178.744195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.744195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.744195 (E_RNA)
where:
Base-Base interactions energy: -123.075
where: short stacking energy: -52.372
Base-Backbone interact. energy: -0.026
local terms energy: -55.642840
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -148.608552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.608552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.608552 (E_RNA)
where:
Base-Base interactions energy: -91.365
where: short stacking energy: -46.267
Base-Backbone interact. energy: 0.190
local terms energy: -57.434278
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.675
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: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -81.614484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.614484 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -34.272
Base-Backbone interact. energy: 0.589
local terms energy: -47.385457
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -127.667244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.667244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.667244 (E_RNA)
where:
Base-Base interactions energy: -81.597
where: short stacking energy: -33.852
Base-Backbone interact. energy: -1.181
local terms energy: -44.889449
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -79.032032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.032032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.032032 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.448
local terms energy: -48.065902
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -2.576
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: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -220.021365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.021365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.021365 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.107
local terms energy: -69.872660
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -212.906262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.906262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.906262 (E_RNA)
where:
Base-Base interactions energy: -141.387
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.122
local terms energy: -71.397971
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.195
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: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -208.894969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.894969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.894969 (E_RNA)
where:
Base-Base interactions energy: -143.123
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.063
local terms energy: -65.709368
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -184.521907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.521907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.521907 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.375
local terms energy: -66.356152
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -192.354274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.354274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.354274 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.026
local terms energy: -68.119349
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -182.539047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.539047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.539047 (E_RNA)
where:
Base-Base interactions energy: -126.000
where: short stacking energy: -44.478
Base-Backbone interact. energy: -0.307
local terms energy: -56.232738
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -8.287
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: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -148.996397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.996397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.996397 (E_RNA)
where:
Base-Base interactions energy: -94.099
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.450
local terms energy: -54.447400
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -7.087
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: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -99.310306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.310306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.310306 (E_RNA)
where:
Base-Base interactions energy: -48.448
where: short stacking energy: -33.476
Base-Backbone interact. energy: 0.459
local terms energy: -51.321697
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -164.993429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.993429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.993429 (E_RNA)
where:
Base-Base interactions energy: -103.699
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.795
local terms energy: -60.499624
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.964
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -81.458436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.458436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.458436 (E_RNA)
where:
Base-Base interactions energy: -32.670
where: short stacking energy: -26.300
Base-Backbone interact. energy: -0.005
local terms energy: -48.783515
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -216.296530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.296530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.296530 (E_RNA)
where:
Base-Base interactions energy: -136.917
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.900
local terms energy: -78.479167
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -208.793369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.793369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.793369 (E_RNA)
where:
Base-Base interactions energy: -142.606
where: short stacking energy: -57.777
Base-Backbone interact. energy: -0.169
local terms energy: -66.017836
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -204.251327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.251327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.251327 (E_RNA)
where:
Base-Base interactions energy: -136.919
where: short stacking energy: -64.061
Base-Backbone interact. energy: -0.152
local terms energy: -67.180224
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -188.757803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.757803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.757803 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.138
local terms energy: -64.682175
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -180.816137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.816137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.816137 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -50.697
Base-Backbone interact. energy: 2.957
local terms energy: -57.676334
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -14.754
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: 245
Temperature: 1.150000
Total energy: -188.925370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.925370 (E_RNA)
where:
Base-Base interactions energy: -121.089
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.082
local terms energy: -67.754626
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.257
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: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -158.180219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.180219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.180219 (E_RNA)
where:
Base-Base interactions energy: -100.593
where: short stacking energy: -58.004
Base-Backbone interact. energy: 0.906
local terms energy: -58.493786
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -7.302
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: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -156.596817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.596817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.596817 (E_RNA)
where:
Base-Base interactions energy: -94.702
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.074
local terms energy: -61.820964
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -97.724745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.724745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.724745 (E_RNA)
where:
Base-Base interactions energy: -49.179
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.068
local terms energy: -48.476889
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -81.590701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.590701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.590701 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.007
local terms energy: -51.577149
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -220.647739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.647739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.647739 (E_RNA)
where:
Base-Base interactions energy: -152.666
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.145
local terms energy: -67.836912
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -13.519
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -205.186465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186465 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -65.176
Base-Backbone interact. energy: 0.824
local terms energy: -62.207400
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -10.211
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -208.474809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474809 (E_RNA)
where:
Base-Base interactions energy: -134.207
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.005
local terms energy: -74.262819
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -201.437407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.437407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.437407 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.056
local terms energy: -62.717615
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -192.350542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.350542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.350542 (E_RNA)
where:
Base-Base interactions energy: -134.361
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.110
local terms energy: -57.879889
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.943
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: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -190.500842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.500842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.500842 (E_RNA)
where:
Base-Base interactions energy: -129.560
where: short stacking energy: -52.189
Base-Backbone interact. energy: -0.217
local terms energy: -60.724177
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -151.522626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.522626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.522626 (E_RNA)
where:
Base-Base interactions energy: -97.222
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.078
local terms energy: -54.223022
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -9.876
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: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -144.172927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.172927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.172927 (E_RNA)
where:
Base-Base interactions energy: -84.832
where: short stacking energy: -42.413
Base-Backbone interact. energy: -0.110
local terms energy: -59.230510
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -87.239772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.239772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.239772 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.117
local terms energy: -50.128301
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -90.906976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906976 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -28.808
Base-Backbone interact. energy: 0.729
local terms energy: -50.348592
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -207.891399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.891399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.891399 (E_RNA)
where:
Base-Base interactions energy: -140.074
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.044
local terms energy: -67.774167
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -220.483596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.483596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483596 (E_RNA)
where:
Base-Base interactions energy: -147.858
where: short stacking energy: -79.119
Base-Backbone interact. energy: -0.105
local terms energy: -72.520142
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -201.039273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.039273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.039273 (E_RNA)
where:
Base-Base interactions energy: -130.226
where: short stacking energy: -74.764
Base-Backbone interact. energy: 0.680
local terms energy: -71.493501
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -181.223917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.223917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223917 (E_RNA)
where:
Base-Base interactions energy: -117.732
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.601
local terms energy: -62.891456
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -195.680380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.680380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.680380 (E_RNA)
where:
Base-Base interactions energy: -122.499
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.003
local terms energy: -73.178779
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.050
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: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -195.497985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.497985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.497985 (E_RNA)
where:
Base-Base interactions energy: -128.954
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.152
local terms energy: -66.392653
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -7.112
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -155.828394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.828394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.828394 (E_RNA)
where:
Base-Base interactions energy: -100.958
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.016
local terms energy: -54.854605
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -9.326
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: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -155.403260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.403260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.403260 (E_RNA)
where:
Base-Base interactions energy: -97.673
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.051
local terms energy: -57.678911
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.062085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062085 (E_RNA)
where:
Base-Base interactions energy: -28.439
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.071
local terms energy: -56.551907
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.173477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.173477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.173477 (E_RNA)
where:
Base-Base interactions energy: -25.507
where: short stacking energy: -25.507
Base-Backbone interact. energy: 0.129
local terms energy: -49.795064
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -215.865728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865728 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.001
local terms energy: -75.490010
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -22.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -201.830009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.830009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.830009 (E_RNA)
where:
Base-Base interactions energy: -135.377
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.350
local terms energy: -66.103470
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -14.172
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: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -210.028362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.028362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.028362 (E_RNA)
where:
Base-Base interactions energy: -137.539
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.729
local terms energy: -71.760381
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -185.982333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.982333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.982333 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -55.637
Base-Backbone interact. energy: -0.060
local terms energy: -67.624182
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -195.455317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.455317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.455317 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -58.311
Base-Backbone interact. energy: -0.658
local terms energy: -66.509877
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -187.024349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.024349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024349 (E_RNA)
where:
Base-Base interactions energy: -120.765
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.001
local terms energy: -66.258104
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -13.096
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: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -129.703053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.703053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.703053 (E_RNA)
where:
Base-Base interactions energy: -79.502
where: short stacking energy: -38.279
Base-Backbone interact. energy: 1.074
local terms energy: -51.274677
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.416
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: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -138.212319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.212319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.212319 (E_RNA)
where:
Base-Base interactions energy: -78.996
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.306
local terms energy: -58.909546
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -85.074904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074904 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.255
local terms energy: -50.514503
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -82.118430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.118430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.118430 (E_RNA)
where:
Base-Base interactions energy: -34.322
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.106
local terms energy: -47.690226
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.041
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -215.012358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.012358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.012358 (E_RNA)
where:
Base-Base interactions energy: -143.252
where: short stacking energy: -72.271
Base-Backbone interact. energy: 0.003
local terms energy: -71.763479
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -212.090015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.090015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.090015 (E_RNA)
where:
Base-Base interactions energy: -136.774
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.003
local terms energy: -75.312479
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -14.357
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: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -201.281185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.281185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.281185 (E_RNA)
where:
Base-Base interactions energy: -129.052
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.725
local terms energy: -71.504219
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -9.827
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: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -208.569717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.569717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.569717 (E_RNA)
where:
Base-Base interactions energy: -140.024
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.775
local terms energy: -67.770514
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -178.182871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.182871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.182871 (E_RNA)
where:
Base-Base interactions energy: -110.762
where: short stacking energy: -57.759
Base-Backbone interact. energy: -0.001
local terms energy: -67.419880
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -15.901
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: 249
Temperature: 1.150000
Total energy: -191.352248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.352248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.352248 (E_RNA)
where:
Base-Base interactions energy: -129.837
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.148
local terms energy: -61.367749
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.698
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: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -151.675311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.675311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.675311 (E_RNA)
where:
Base-Base interactions energy: -99.511
where: short stacking energy: -49.469
Base-Backbone interact. energy: -0.097
local terms energy: -52.066919
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -6.366
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -147.983357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.983357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.983357 (E_RNA)
where:
Base-Base interactions energy: -93.889
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.165
local terms energy: -53.929143
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -4.595
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: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -109.893883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.893883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.893883 (E_RNA)
where:
Base-Base interactions energy: -67.583
where: short stacking energy: -26.623
Base-Backbone interact. energy: -1.576
local terms energy: -40.734898
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: 0.856
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: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -86.603309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603309 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.050
local terms energy: -51.144844
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -4.145
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: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -224.488680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.488680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.488680 (E_RNA)
where:
Base-Base interactions energy: -149.748
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.027
local terms energy: -74.712989
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -200.264331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.264331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.264331 (E_RNA)
where:
Base-Base interactions energy: -130.382
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.013
local terms energy: -69.869932
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -207.976822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.976822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.976822 (E_RNA)
where:
Base-Base interactions energy: -144.238
where: short stacking energy: -67.706
Base-Backbone interact. energy: 0.165
local terms energy: -63.903108
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.455
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: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -192.495349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.495349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495349 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -48.609
Base-Backbone interact. energy: 0.853
local terms energy: -64.116705
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -190.108309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.108309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.108309 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -65.210
Base-Backbone interact. energy: 0.965
local terms energy: -68.721157
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -19.577
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: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -178.044333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.044333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.044333 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.054
local terms energy: -63.320448
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -153.484016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.484016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.484016 (E_RNA)
where:
Base-Base interactions energy: -95.864
where: short stacking energy: -45.576
Base-Backbone interact. energy: -1.301
local terms energy: -56.319003
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -132.531220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.531220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.531220 (E_RNA)
where:
Base-Base interactions energy: -76.013
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.068
local terms energy: -56.450703
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -6.012
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: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -86.837403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.837403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.837403 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.056
local terms energy: -48.916080
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -6.527
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -7.727
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: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -124.620904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.620904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.620904 (E_RNA)
where:
Base-Base interactions energy: -88.829
where: short stacking energy: -38.419
Base-Backbone interact. energy: -0.023
local terms energy: -35.768993
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -5.083
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -221.728308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.728308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728308 (E_RNA)
where:
Base-Base interactions energy: -151.178
where: short stacking energy: -69.475
Base-Backbone interact. energy: 1.430
local terms energy: -71.980751
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -10.631
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: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -210.998896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.998896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.998896 (E_RNA)
where:
Base-Base interactions energy: -136.495
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.004
local terms energy: -74.499958
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.041
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: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -207.849796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.849796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.849796 (E_RNA)
where:
Base-Base interactions energy: -142.817
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.017
local terms energy: -65.016557
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -183.751508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.751508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.751508 (E_RNA)
where:
Base-Base interactions energy: -112.992
where: short stacking energy: -46.910
Base-Backbone interact. energy: -0.273
local terms energy: -70.486374
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -191.919209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.919209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.919209 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.079
local terms energy: -62.214577
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -11.393
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: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -164.296314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.296314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.296314 (E_RNA)
where:
Base-Base interactions energy: -104.046
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.492
local terms energy: -59.758558
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -175.078306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.078306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.078306 (E_RNA)
where:
Base-Base interactions energy: -111.178
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.008
local terms energy: -63.891700
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -118.746686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.746686 (E_RNA)
where:
Base-Base interactions energy: -68.539
where: short stacking energy: -39.375
Base-Backbone interact. energy: 0.634
local terms energy: -50.841452
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -78.699901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.699901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.699901 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -34.096
Base-Backbone interact. energy: 0.025
local terms energy: -44.629087
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.173
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -79.488826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.488826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.488826 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.425
local terms energy: -45.130726
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -7.604
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: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -220.884566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.884566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.884566 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -71.514
Base-Backbone interact. energy: 0.628
local terms energy: -73.601536
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -200.283365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.283365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.283365 (E_RNA)
where:
Base-Base interactions energy: -125.520
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.002
local terms energy: -74.761640
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -192.226474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.226474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.226474 (E_RNA)
where:
Base-Base interactions energy: -129.496
where: short stacking energy: -55.580
Base-Backbone interact. energy: -0.020
local terms energy: -62.709920
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -201.780507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.780507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.780507 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.001
local terms energy: -75.588899
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -18.469
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: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -190.756623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.756623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.756623 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.047
local terms energy: -59.049567
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.012
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: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -163.133291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.133291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.133291 (E_RNA)
where:
Base-Base interactions energy: -95.797
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.015
local terms energy: -67.321838
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.038
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -184.822780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.822780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.822780 (E_RNA)
where:
Base-Base interactions energy: -121.541
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.230
local terms energy: -63.051450
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.089
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: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -86.232134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.232134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.232134 (E_RNA)
where:
Base-Base interactions energy: -48.019
where: short stacking energy: -37.849
Base-Backbone interact. energy: 0.998
local terms energy: -39.211386
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -3.964
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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -86.148721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148721 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.553
local terms energy: -45.914087
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -7.851
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: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -73.042923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.042923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.042923 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -18.312
Base-Backbone interact. energy: 0.416
local terms energy: -41.212419
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -220.651919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.651919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.651919 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.209
local terms energy: -72.018215
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -213.893393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893393 (E_RNA)
where:
Base-Base interactions energy: -149.706
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.152
local terms energy: -64.035364
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -206.736148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736148 (E_RNA)
where:
Base-Base interactions energy: -137.216
where: short stacking energy: -60.990
Base-Backbone interact. energy: 0.286
local terms energy: -69.806267
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -208.756085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.756085 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.083
local terms energy: -67.146908
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -198.606925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.606925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.606925 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.093
local terms energy: -65.550304
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -5.584
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -197.818027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.818027 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.304
local terms energy: -67.023619
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -150.357951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.357951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.357951 (E_RNA)
where:
Base-Base interactions energy: -90.034
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.005
local terms energy: -60.318633
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -84.365764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.365764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.365764 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.073
local terms energy: -58.735923
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -4.359
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -79.865046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865046 (E_RNA)
where:
Base-Base interactions energy: -35.524
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.247
local terms energy: -44.093895
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -94.765176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765176 (E_RNA)
where:
Base-Base interactions energy: -44.446
where: short stacking energy: -34.501
Base-Backbone interact. energy: 0.569
local terms energy: -50.887940
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -221.272002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.272002 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -60.986
Base-Backbone interact. energy: -1.715
local terms energy: -76.277648
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -11.304
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: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -208.524585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.524585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.524585 (E_RNA)
where:
Base-Base interactions energy: -135.789
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.002
local terms energy: -72.733856
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -213.248088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.248088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.248088 (E_RNA)
where:
Base-Base interactions energy: -140.170
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.094
local terms energy: -72.983565
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -194.313686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.313686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.313686 (E_RNA)
where:
Base-Base interactions energy: -124.005
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.103
local terms energy: -70.205687
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.475263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.475263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.475263 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -65.780
Base-Backbone interact. energy: 0.600
local terms energy: -67.341904
where:
bonds (distance) C4'-P energy: -4.594
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -200.924996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.924996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.924996 (E_RNA)
where:
Base-Base interactions energy: -139.214
where: short stacking energy: -62.993
Base-Backbone interact. energy: 0.072
local terms energy: -61.782653
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -99.374050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374050 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.238
local terms energy: -56.955438
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -131.025140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.025140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.025140 (E_RNA)
where:
Base-Base interactions energy: -73.410
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.137
local terms energy: -57.478259
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -6.487
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: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -96.146005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.146005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.146005 (E_RNA)
where:
Base-Base interactions energy: -46.070
where: short stacking energy: -31.747
Base-Backbone interact. energy: -1.178
local terms energy: -48.898295
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -3.202
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: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -84.753186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.753186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.753186 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.354
local terms energy: -44.617605
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -214.797551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.797551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.797551 (E_RNA)
where:
Base-Base interactions energy: -146.020
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.683
local terms energy: -68.094034
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.680
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: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -211.454392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.454392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.454392 (E_RNA)
where:
Base-Base interactions energy: -145.688
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.115
local terms energy: -65.652201
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.489
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: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -201.722207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.722207 (E_RNA)
where:
Base-Base interactions energy: -137.722
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.005
local terms energy: -63.994875
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -19.072
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -209.259102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.259102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.259102 (E_RNA)
where:
Base-Base interactions energy: -137.980
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.587
local terms energy: -70.691270
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -6.751
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: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -186.016443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.016443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.016443 (E_RNA)
where:
Base-Base interactions energy: -116.096
where: short stacking energy: -52.704
Base-Backbone interact. energy: -0.196
local terms energy: -69.724178
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.759
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -192.551737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551737 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -61.843
Base-Backbone interact. energy: -0.043
local terms energy: -67.539424
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.452
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: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -111.426706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.426706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.426706 (E_RNA)
where:
Base-Base interactions energy: -62.969
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.183
local terms energy: -48.274594
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -92.048094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.048094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.048094 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -34.998
Base-Backbone interact. energy: -0.052
local terms energy: -56.997660
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -140.910752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.910752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.910752 (E_RNA)
where:
Base-Base interactions energy: -82.160
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.309
local terms energy: -58.442257
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -87.566248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.566248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.566248 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.121
local terms energy: -50.920982
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -215.473136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.473136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.473136 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -73.402
Base-Backbone interact. energy: -0.010
local terms energy: -68.114523
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -227.413546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.413546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.413546 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -72.154
Base-Backbone interact. energy: -1.285
local terms energy: -76.183400
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -22.345
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: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -217.634333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.634333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.634333 (E_RNA)
where:
Base-Base interactions energy: -145.881
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.007
local terms energy: -71.746699
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -18.180
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -198.032943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.032943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.032943 (E_RNA)
where:
Base-Base interactions energy: -138.809
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.634
local terms energy: -58.590133
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -196.575002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.575002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.575002 (E_RNA)
where:
Base-Base interactions energy: -121.178
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.579
local terms energy: -74.818032
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -187.524622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.524622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.524622 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.007
local terms energy: -70.846022
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -128.250634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.250634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.250634 (E_RNA)
where:
Base-Base interactions energy: -71.871
where: short stacking energy: -32.297
Base-Backbone interact. energy: -0.312
local terms energy: -56.067128
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -87.816999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.816999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.816999 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -25.552
Base-Backbone interact. energy: -0.360
local terms energy: -61.521416
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -5.209
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: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -146.867314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.867314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.867314 (E_RNA)
where:
Base-Base interactions energy: -96.297
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.425
local terms energy: -50.144679
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -73.414493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.414493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.414493 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -26.366
Base-Backbone interact. energy: 0.003
local terms energy: -45.031343
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -1.283
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: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -217.554535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554535 (E_RNA)
where:
Base-Base interactions energy: -141.938
where: short stacking energy: -51.859
Base-Backbone interact. energy: 0.274
local terms energy: -75.891252
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -220.449042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.449042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.449042 (E_RNA)
where:
Base-Base interactions energy: -151.412
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.456
local terms energy: -68.580746
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -224.280668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280668 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.133
local terms energy: -71.076539
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -17.704
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: 257
Temperature: 1.050000
Total energy: -195.279103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.279103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.279103 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.101
local terms energy: -69.112433
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -186.321714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.321714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.321714 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -66.709
Base-Backbone interact. energy: -0.001
local terms energy: -60.709496
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -178.959065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.959065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.959065 (E_RNA)
where:
Base-Base interactions energy: -112.059
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.091
local terms energy: -66.808788
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -121.253637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.253637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.253637 (E_RNA)
where:
Base-Base interactions energy: -72.129
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.104
local terms energy: -49.020663
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -148.765962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.765962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.765962 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -45.639
Base-Backbone interact. energy: 2.122
local terms energy: -49.080601
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -6.644
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: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -84.948033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.948033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.948033 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -20.018
Base-Backbone interact. energy: -0.559
local terms energy: -47.429039
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -0.669
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: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -78.176078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.176078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.176078 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -24.605
Base-Backbone interact. energy: -0.192
local terms energy: -49.653424
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -227.987882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987882 (E_RNA)
where:
Base-Base interactions energy: -151.250
where: short stacking energy: -72.981
Base-Backbone interact. energy: 1.331
local terms energy: -78.068582
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -216.721698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.721698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.721698 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.113
local terms energy: -60.244910
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -210.888384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.888384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.888384 (E_RNA)
where:
Base-Base interactions energy: -135.717
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.011
local terms energy: -75.159794
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -198.684562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.684562 (E_RNA)
where:
Base-Base interactions energy: -132.818
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.008
local terms energy: -65.858968
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -13.150
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: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -199.269357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.269357 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -65.291
Base-Backbone interact. energy: -0.001
local terms energy: -71.044083
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -184.797574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.797574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.797574 (E_RNA)
where:
Base-Base interactions energy: -109.963
where: short stacking energy: -52.137
Base-Backbone interact. energy: -0.105
local terms energy: -74.730202
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -150.486876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.486876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.486876 (E_RNA)
where:
Base-Base interactions energy: -89.653
where: short stacking energy: -34.660
Base-Backbone interact. energy: -1.031
local terms energy: -59.802858
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -112.675463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.675463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.675463 (E_RNA)
where:
Base-Base interactions energy: -58.541
where: short stacking energy: -21.871
Base-Backbone interact. energy: 1.234
local terms energy: -55.368986
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -7.922
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -76.846576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.846576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.846576 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -26.239
Base-Backbone interact. energy: -0.565
local terms energy: -47.575150
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -79.084408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.084408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.084408 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -27.001
Base-Backbone interact. energy: -1.102
local terms energy: -44.887626
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: 2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -222.959676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959676 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.100
local terms energy: -72.734826
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -13.086
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -203.049084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.049084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.049084 (E_RNA)
where:
Base-Base interactions energy: -131.285
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.203
local terms energy: -71.560635
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -211.248389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248389 (E_RNA)
where:
Base-Base interactions energy: -137.954
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.007
local terms energy: -73.286976
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -197.163432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.163432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.163432 (E_RNA)
where:
Base-Base interactions energy: -132.488
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.101
local terms energy: -64.574605
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -200.628343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.628343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.628343 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.010
local terms energy: -72.898765
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.128
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: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -144.962060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.962060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.962060 (E_RNA)
where:
Base-Base interactions energy: -85.251
where: short stacking energy: -53.387
Base-Backbone interact. energy: -0.183
local terms energy: -59.528066
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -181.001818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.001818 (E_RNA)
where:
Base-Base interactions energy: -116.445
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.764
local terms energy: -63.792750
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -10.373
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -100.714044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.714044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.714044 (E_RNA)
where:
Base-Base interactions energy: -43.708
where: short stacking energy: -43.217
Base-Backbone interact. energy: -0.014
local terms energy: -56.992087
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -90.939869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.939869 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -37.595
Base-Backbone interact. energy: -0.088
local terms energy: -53.257022
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -7.091
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -73.486732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.486732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.486732 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -24.918
Base-Backbone interact. energy: 0.142
local terms energy: -44.132202
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -11.454
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: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -213.802470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.802470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.802470 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.002
local terms energy: -70.859561
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.386
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: 260
Temperature: 0.950000
Total energy: -225.007306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007306 (E_RNA)
where:
Base-Base interactions energy: -155.369
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.837
local terms energy: -68.800903
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -205.839098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.839098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.839098 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.011
local terms energy: -71.330252
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -7.392
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: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -201.555059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.555059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.555059 (E_RNA)
where:
Base-Base interactions energy: -133.791
where: short stacking energy: -69.398
Base-Backbone interact. energy: 1.443
local terms energy: -69.206868
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.834
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: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -199.792768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.792768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.792768 (E_RNA)
where:
Base-Base interactions energy: -127.887
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.054
local terms energy: -71.852538
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -155.849667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.849667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.849667 (E_RNA)
where:
Base-Base interactions energy: -94.998
where: short stacking energy: -57.360
Base-Backbone interact. energy: -0.572
local terms energy: -60.279229
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -178.053764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.053764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.053764 (E_RNA)
where:
Base-Base interactions energy: -117.902
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.033
local terms energy: -60.118805
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -84.827240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827240 (E_RNA)
where:
Base-Base interactions energy: -28.385
where: short stacking energy: -28.385
Base-Backbone interact. energy: -0.161
local terms energy: -56.281958
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.183482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.183482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.183482 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -36.230
Base-Backbone interact. energy: 2.262
local terms energy: -45.483904
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -4.583
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -77.426548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.426548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.426548 (E_RNA)
where:
Base-Base interactions energy: -33.118
where: short stacking energy: -29.568
Base-Backbone interact. energy: 1.490
local terms energy: -45.798347
where:
bonds (distance) C4'-P energy: -6.055
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -6.569
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -212.568974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.568974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.568974 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -70.038
Base-Backbone interact. energy: 0.759
local terms energy: -78.559614
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -223.749173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.749173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.749173 (E_RNA)
where:
Base-Base interactions energy: -152.405
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.445
local terms energy: -70.898475
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -203.357361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357361 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.018
local terms energy: -75.727597
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -209.928606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.928606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.928606 (E_RNA)
where:
Base-Base interactions energy: -153.687
where: short stacking energy: -59.794
Base-Backbone interact. energy: -0.175
local terms energy: -56.066748
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -200.530796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.530796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.530796 (E_RNA)
where:
Base-Base interactions energy: -126.233
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.290
local terms energy: -74.008713
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.906
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: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -178.179070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.179070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.179070 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.059
local terms energy: -64.775483
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -139.484621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.484621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.484621 (E_RNA)
where:
Base-Base interactions energy: -84.294
where: short stacking energy: -43.599
Base-Backbone interact. energy: 0.190
local terms energy: -55.380922
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -94.285649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.285649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.285649 (E_RNA)
where:
Base-Base interactions energy: -31.541
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.219
local terms energy: -62.524824
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -89.484649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484649 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.100
local terms energy: -43.483069
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: 2.576
tors. eta vs tors. theta energy: -7.490
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: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -87.766522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766522 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.019
local terms energy: -52.165305
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -1.614
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -229.834630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.834630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.834630 (E_RNA)
where:
Base-Base interactions energy: -152.325
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.293
local terms energy: -77.216449
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -214.664753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.664753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.664753 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.016
local terms energy: -78.905031
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -198.726994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.726994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.726994 (E_RNA)
where:
Base-Base interactions energy: -132.031
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.001
local terms energy: -66.695636
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -201.424799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424799 (E_RNA)
where:
Base-Base interactions energy: -130.085
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.440
local terms energy: -70.899517
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -21.398
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: 262
Temperature: 1.100000
Total energy: -190.941851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.941851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.941851 (E_RNA)
where:
Base-Base interactions energy: -129.223
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.593
local terms energy: -61.125484
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -5.012
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: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -186.379459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.379459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.379459 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.151
local terms energy: -64.513867
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -7.134
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: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -103.807289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.807289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.807289 (E_RNA)
where:
Base-Base interactions energy: -46.111
where: short stacking energy: -38.605
Base-Backbone interact. energy: 0.911
local terms energy: -58.607511
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -4.813
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: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -88.299069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.299069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.299069 (E_RNA)
where:
Base-Base interactions energy: -29.524
where: short stacking energy: -29.524
Base-Backbone interact. energy: 0.817
local terms energy: -59.592223
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.181
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -82.902781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902781 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.073
local terms energy: -48.928287
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -8.252
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.992960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.992960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.992960 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.692
local terms energy: -50.166960
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -225.171509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.171509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.171509 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -70.292
Base-Backbone interact. energy: -0.185
local terms energy: -75.200245
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -205.327305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327305 (E_RNA)
where:
Base-Base interactions energy: -131.493
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.041
local terms energy: -73.794188
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -207.813885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.813885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.813885 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.003
local terms energy: -71.654381
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -16.507
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: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -191.365756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.365756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.365756 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -60.280
Base-Backbone interact. energy: 0.655
local terms energy: -65.762030
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -208.525949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.525949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525949 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.003
local terms energy: -71.696197
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -112.385302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.385302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.385302 (E_RNA)
where:
Base-Base interactions energy: -50.561
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.109
local terms energy: -61.715546
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -7.038
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: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -182.368975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.368975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.368975 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.081
local terms energy: -64.825877
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -95.475277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475277 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.166
local terms energy: -61.222406
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -96.298404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.298404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.298404 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -37.230
Base-Backbone interact. energy: -0.353
local terms energy: -55.837906
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -77.180513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180513 (E_RNA)
where:
Base-Base interactions energy: -25.719
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.114
local terms energy: -51.347475
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -207.669501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.669501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.669501 (E_RNA)
where:
Base-Base interactions energy: -138.783
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.001
local terms energy: -68.885019
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.786
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: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -226.813925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813925 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -65.316
Base-Backbone interact. energy: -0.741
local terms energy: -74.064486
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -204.951980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.951980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.951980 (E_RNA)
where:
Base-Base interactions energy: -130.538
where: short stacking energy: -62.864
Base-Backbone interact. energy: -0.633
local terms energy: -73.781045
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -210.349455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.349455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.349455 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -65.353
Base-Backbone interact. energy: 0.266
local terms energy: -72.204401
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -97.967746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.967746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.967746 (E_RNA)
where:
Base-Base interactions energy: -44.941
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.181
local terms energy: -52.845639
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -184.047164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.047164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.047164 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -51.416
Base-Backbone interact. energy: 1.350
local terms energy: -53.747306
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -187.992443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.992443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.992443 (E_RNA)
where:
Base-Base interactions energy: -124.665
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.584
local terms energy: -62.743669
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -12.853
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: 264
Temperature: 1.250000
Total energy: -108.791857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.791857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.791857 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.037
local terms energy: -57.021539
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -6.195
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: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -81.926226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926226 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.039
local terms energy: -44.805326
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -8.511
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -80.520445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.520445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.520445 (E_RNA)
where:
Base-Base interactions energy: -28.173
where: short stacking energy: -26.902
Base-Backbone interact. energy: 0.906
local terms energy: -53.253447
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.233
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: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -205.163938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.163938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.163938 (E_RNA)
where:
Base-Base interactions energy: -135.905
where: short stacking energy: -72.837
Base-Backbone interact. energy: -0.152
local terms energy: -69.107135
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -225.732252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.732252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.732252 (E_RNA)
where:
Base-Base interactions energy: -145.659
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.241
local terms energy: -79.832229
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -193.437644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.437644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.437644 (E_RNA)
where:
Base-Base interactions energy: -118.831
where: short stacking energy: -63.626
Base-Backbone interact. energy: 1.276
local terms energy: -75.882986
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -209.724655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.724655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.724655 (E_RNA)
where:
Base-Base interactions energy: -144.011
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.475
local terms energy: -65.238188
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -116.186801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186801 (E_RNA)
where:
Base-Base interactions energy: -49.663
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.116
local terms energy: -66.407884
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -7.035
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -202.713576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.713576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.713576 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -65.543
Base-Backbone interact. energy: 3.482
local terms energy: -61.685525
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -192.230103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.230103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.230103 (E_RNA)
where:
Base-Base interactions energy: -121.179
where: short stacking energy: -61.707
Base-Backbone interact. energy: 0.251
local terms energy: -71.302221
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.413
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: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -87.743039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.743039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.743039 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.007
local terms energy: -54.536622
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -8.149
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -107.615939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.615939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.615939 (E_RNA)
where:
Base-Base interactions energy: -59.851
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.539
local terms energy: -47.225450
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -74.890273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.890273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.890273 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -30.741
Base-Backbone interact. energy: -0.210
local terms energy: -44.239256
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -227.051767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.051767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.051767 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.200
local terms energy: -71.296616
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -208.141383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.141383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.141383 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -66.039
Base-Backbone interact. energy: 1.004
local terms energy: -68.593467
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -206.171526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171526 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -68.456
Base-Backbone interact. energy: 1.717
local terms energy: -72.476235
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -195.714852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.714852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.714852 (E_RNA)
where:
Base-Base interactions energy: -134.819
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.001
local terms energy: -60.894569
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -162.576201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.576201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.576201 (E_RNA)
where:
Base-Base interactions energy: -106.886
where: short stacking energy: -54.770
Base-Backbone interact. energy: 0.645
local terms energy: -56.335733
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -96.201253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.201253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.201253 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.092
local terms energy: -56.356187
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -5.299
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -183.455455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.455455 (E_RNA)
where:
Base-Base interactions energy: -121.958
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.003
local terms energy: -61.494556
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -11.192
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -106.407881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.407881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.407881 (E_RNA)
where:
Base-Base interactions energy: -61.225
where: short stacking energy: -26.854
Base-Backbone interact. energy: -0.196
local terms energy: -44.986820
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -85.020362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020362 (E_RNA)
where:
Base-Base interactions energy: -31.815
where: short stacking energy: -23.149
Base-Backbone interact. energy: -0.222
local terms energy: -52.983367
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -93.301672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301672 (E_RNA)
where:
Base-Base interactions energy: -41.635
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.351
local terms energy: -51.315840
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -229.746326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.746326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.746326 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -64.080
Base-Backbone interact. energy: -1.025
local terms energy: -75.588094
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -216.984411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984411 (E_RNA)
where:
Base-Base interactions energy: -155.468
where: short stacking energy: -63.724
Base-Backbone interact. energy: -0.668
local terms energy: -60.848550
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -8.115
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: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -212.655177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655177 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.005
local terms energy: -65.284598
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -167.441854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.441854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.441854 (E_RNA)
where:
Base-Base interactions energy: -102.366
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.065
local terms energy: -65.010683
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -202.187362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.187362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.187362 (E_RNA)
where:
Base-Base interactions energy: -134.099
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.082
local terms energy: -68.006670
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -194.302895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.302895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.302895 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.272
local terms energy: -68.671035
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -4.933
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: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -104.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.537295 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -45.106
Base-Backbone interact. energy: -0.046
local terms energy: -58.198950
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -87.672418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.672418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.672418 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.123
local terms energy: -55.716862
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -2.024
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -89.904600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.904600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.904600 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.117
local terms energy: -53.217838
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -5.066
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: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -75.726958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.726958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.726958 (E_RNA)
where:
Base-Base interactions energy: -29.093
where: short stacking energy: -28.962
Base-Backbone interact. energy: 0.167
local terms energy: -46.801414
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -226.722316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.722316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722316 (E_RNA)
where:
Base-Base interactions energy: -161.710
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.259
local terms energy: -64.753775
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -8.696
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -7.172
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: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -217.428687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.428687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428687 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.188
local terms energy: -69.244701
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -209.156662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.156662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.156662 (E_RNA)
where:
Base-Base interactions energy: -135.713
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.005
local terms energy: -73.438823
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.557
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -178.767809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.767809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.767809 (E_RNA)
where:
Base-Base interactions energy: -106.270
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.377
local terms energy: -72.120504
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -189.132001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.132001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.132001 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -53.178
Base-Backbone interact. energy: -0.040
local terms energy: -70.101289
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -190.467645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.467645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.467645 (E_RNA)
where:
Base-Base interactions energy: -129.372
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.154
local terms energy: -60.941824
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -10.258
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -94.677418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.677418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.677418 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.066
local terms energy: -52.576999
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -86.762211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.762211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.762211 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.146
local terms energy: -51.725337
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -100.696127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.696127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.696127 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -38.015
Base-Backbone interact. energy: -0.012
local terms energy: -57.071901
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -82.422488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422488 (E_RNA)
where:
Base-Base interactions energy: -42.495
where: short stacking energy: -25.609
Base-Backbone interact. energy: 0.834
local terms energy: -40.761216
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -8.623
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: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -219.495684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.495684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.495684 (E_RNA)
where:
Base-Base interactions energy: -152.256
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.040
local terms energy: -67.199999
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -17.072
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -210.655927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.655927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.655927 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.017
local terms energy: -74.858624
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.167
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: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -214.228620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.228620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.228620 (E_RNA)
where:
Base-Base interactions energy: -135.150
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.618
local terms energy: -78.460245
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -203.692171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.692171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.692171 (E_RNA)
where:
Base-Base interactions energy: -136.162
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.105
local terms energy: -67.425121
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -166.412282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.412282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.412282 (E_RNA)
where:
Base-Base interactions energy: -106.134
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.498
local terms energy: -59.780424
where:
bonds (distance) C4'-P energy: -6.294
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -192.033444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033444 (E_RNA)
where:
Base-Base interactions energy: -117.728
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.017
local terms energy: -74.288953
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -94.633987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633987 (E_RNA)
where:
Base-Base interactions energy: -36.481
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.017
local terms energy: -58.136398
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -86.790906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.790906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.790906 (E_RNA)
where:
Base-Base interactions energy: -51.337
where: short stacking energy: -24.777
Base-Backbone interact. energy: -0.191
local terms energy: -35.263016
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: 3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -80.752150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752150 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.144
local terms energy: -48.090294
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -0.760
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: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -87.343112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.343112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.343112 (E_RNA)
where:
Base-Base interactions energy: -51.081
where: short stacking energy: -26.151
Base-Backbone interact. energy: 0.566
local terms energy: -36.827832
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -224.786988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.786988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.786988 (E_RNA)
where:
Base-Base interactions energy: -153.524
where: short stacking energy: -75.748
Base-Backbone interact. energy: -0.001
local terms energy: -71.261166
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -204.332863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.332863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.332863 (E_RNA)
where:
Base-Base interactions energy: -132.862
where: short stacking energy: -69.500
Base-Backbone interact. energy: -0.015
local terms energy: -71.455829
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -18.896
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: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -200.751724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751724 (E_RNA)
where:
Base-Base interactions energy: -131.613
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.051
local terms energy: -69.087141
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -10.302
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: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -205.435650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435650 (E_RNA)
where:
Base-Base interactions energy: -132.733
where: short stacking energy: -66.602
Base-Backbone interact. energy: -0.045
local terms energy: -72.657969
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -178.552292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.552292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.552292 (E_RNA)
where:
Base-Base interactions energy: -107.296
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.022
local terms energy: -71.234294
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -147.445334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.445334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.445334 (E_RNA)
where:
Base-Base interactions energy: -84.748
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.367
local terms energy: -62.330662
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -82.070454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070454 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.056
local terms energy: -52.783706
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -3.534
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: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -87.815089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815089 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -32.829
Base-Backbone interact. energy: -0.302
local terms energy: -54.683811
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.444
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -123.645415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.645415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.645415 (E_RNA)
where:
Base-Base interactions energy: -72.591
where: short stacking energy: -38.896
Base-Backbone interact. energy: -0.408
local terms energy: -50.646171
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -3.113
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: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -100.321884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321884 (E_RNA)
where:
Base-Base interactions energy: -47.111
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.214
local terms energy: -52.996157
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -225.787265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.787265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.787265 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -73.241
Base-Backbone interact. energy: -0.028
local terms energy: -72.493459
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -19.171
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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -212.260943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.260943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260943 (E_RNA)
where:
Base-Base interactions energy: -143.917
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.004
local terms energy: -68.339422
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -7.290
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: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -206.840138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840138 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.008
local terms energy: -70.454064
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -212.370360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.370360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.370360 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -66.982
Base-Backbone interact. energy: 0.644
local terms energy: -75.105542
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -11.128
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -194.426035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.426035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.426035 (E_RNA)
where:
Base-Base interactions energy: -128.352
where: short stacking energy: -58.845
Base-Backbone interact. energy: 0.137
local terms energy: -66.211383
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -4.678
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -148.518850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.518850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.518850 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.251
local terms energy: -63.866700
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -90.718354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.718354 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -25.804
Base-Backbone interact. energy: -0.023
local terms energy: -54.332702
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.076
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: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -141.840216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.840216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.840216 (E_RNA)
where:
Base-Base interactions energy: -82.214
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.915
local terms energy: -58.711158
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -76.088029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.088029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.088029 (E_RNA)
where:
Base-Base interactions energy: -24.932
where: short stacking energy: -23.571
Base-Backbone interact. energy: -0.112
local terms energy: -51.043845
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -4.156
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: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -76.831134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.831134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.831134 (E_RNA)
where:
Base-Base interactions energy: -27.203
where: short stacking energy: -8.825
Base-Backbone interact. energy: -0.316
local terms energy: -49.312242
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -213.067166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.067166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.067166 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.286
local terms energy: -73.990028
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -214.565541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.565541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565541 (E_RNA)
where:
Base-Base interactions energy: -145.072
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.063
local terms energy: -69.430811
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -14.689
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: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.364681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.364681 (E_RNA)
where:
Base-Base interactions energy: -148.921
where: short stacking energy: -54.033
Base-Backbone interact. energy: -1.451
local terms energy: -62.993088
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -219.110862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.110862 (E_RNA)
where:
Base-Base interactions energy: -146.485
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.012
local terms energy: -72.613275
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -202.219285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.219285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.219285 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.010
local terms energy: -65.850704
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -140.969368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.969368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.969368 (E_RNA)
where:
Base-Base interactions energy: -83.704
where: short stacking energy: -42.865
Base-Backbone interact. energy: 0.296
local terms energy: -57.560924
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -141.456949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.456949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.456949 (E_RNA)
where:
Base-Base interactions energy: -78.677
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.105
local terms energy: -62.674604
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -84.895465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.895465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.895465 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -34.519
Base-Backbone interact. energy: 0.678
local terms energy: -51.054317
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -2.986
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -92.516376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.516376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.516376 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.160
local terms energy: -52.442334
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -72.990947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.990947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.990947 (E_RNA)
where:
Base-Base interactions energy: -22.420
where: short stacking energy: -21.668
Base-Backbone interact. energy: -0.160
local terms energy: -50.411535
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: 3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -220.262391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.262391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.262391 (E_RNA)
where:
Base-Base interactions energy: -145.855
where: short stacking energy: -70.592
Base-Backbone interact. energy: -0.010
local terms energy: -74.397129
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -211.799801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799801 (E_RNA)
where:
Base-Base interactions energy: -141.962
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.196
local terms energy: -69.641772
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -199.108183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.108183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.108183 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.300
local terms energy: -63.011014
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -216.979492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.979492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.979492 (E_RNA)
where:
Base-Base interactions energy: -146.828
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.001
local terms energy: -70.150533
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -189.357094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.357094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.357094 (E_RNA)
where:
Base-Base interactions energy: -119.879
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.100
local terms energy: -69.378201
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -160.517357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.517357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.517357 (E_RNA)
where:
Base-Base interactions energy: -94.250
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.572
local terms energy: -65.695294
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -132.328963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.328963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.328963 (E_RNA)
where:
Base-Base interactions energy: -71.534
where: short stacking energy: -37.572
Base-Backbone interact. energy: -0.224
local terms energy: -60.570128
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -84.028820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.028820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.028820 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.003
local terms energy: -53.705174
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -93.336180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.336180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.336180 (E_RNA)
where:
Base-Base interactions energy: -44.372
where: short stacking energy: -28.349
Base-Backbone interact. energy: 0.018
local terms energy: -48.982587
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -75.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.555834 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.548
local terms energy: -43.799688
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -222.565639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.565639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.565639 (E_RNA)
where:
Base-Base interactions energy: -158.607
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.002
local terms energy: -63.956624
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -221.250291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.250291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.250291 (E_RNA)
where:
Base-Base interactions energy: -143.987
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.064
local terms energy: -77.199198
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -19.344
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: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -213.447352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.447352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.447352 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -53.886
Base-Backbone interact. energy: 0.004
local terms energy: -71.821051
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -16.884
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: 274
Temperature: 1.050000
Total energy: -199.481517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.481517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.481517 (E_RNA)
where:
Base-Base interactions energy: -134.018
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.100
local terms energy: -65.363565
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -201.691414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.691414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.691414 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.002
local terms energy: -64.540409
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -173.080454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.080454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.080454 (E_RNA)
where:
Base-Base interactions energy: -110.631
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.279
local terms energy: -62.170924
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -102.253733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.253733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.253733 (E_RNA)
where:
Base-Base interactions energy: -41.653
where: short stacking energy: -37.697
Base-Backbone interact. energy: -0.096
local terms energy: -60.504827
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -7.633
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: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -122.698116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.698116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.698116 (E_RNA)
where:
Base-Base interactions energy: -75.033
where: short stacking energy: -46.860
Base-Backbone interact. energy: -0.042
local terms energy: -47.623372
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -81.786240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786240 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.037
local terms energy: -45.864724
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -6.055
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: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -77.913989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.913989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.913989 (E_RNA)
where:
Base-Base interactions energy: -27.405
where: short stacking energy: -27.405
Base-Backbone interact. energy: 0.052
local terms energy: -50.561136
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -2.075
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: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -224.207572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.207572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.207572 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -72.062
Base-Backbone interact. energy: -0.001
local terms energy: -74.510909
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -210.785856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.785856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.785856 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.083
local terms energy: -70.263333
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -220.525640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.525640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.525640 (E_RNA)
where:
Base-Base interactions energy: -150.653
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.072
local terms energy: -69.801167
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -202.896511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.896511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.896511 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.001
local terms energy: -69.372874
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -196.027288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.027288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.027288 (E_RNA)
where:
Base-Base interactions energy: -141.106
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.321
local terms energy: -54.600025
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -5.916
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: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -158.104843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.104843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.104843 (E_RNA)
where:
Base-Base interactions energy: -93.320
where: short stacking energy: -51.742
Base-Backbone interact. energy: -0.243
local terms energy: -64.541934
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -9.853
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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -102.868167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.868167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.868167 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -29.755
Base-Backbone interact. energy: -0.200
local terms energy: -49.985754
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -134.215095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.215095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.215095 (E_RNA)
where:
Base-Base interactions energy: -75.793
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.658
local terms energy: -57.764262
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -86.280760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280760 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -32.932
Base-Backbone interact. energy: 2.415
local terms energy: -55.763471
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -7.632
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: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -79.489507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.489507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.489507 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -29.018
Base-Backbone interact. energy: 1.828
local terms energy: -52.299015
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -228.115878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.115878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.115878 (E_RNA)
where:
Base-Base interactions energy: -150.679
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.043
local terms energy: -77.394262
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.593
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: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -216.493917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.493917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.493917 (E_RNA)
where:
Base-Base interactions energy: -148.327
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.083
local terms energy: -68.084269
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -202.933323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.933323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.933323 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.002
local terms energy: -74.761382
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -202.907801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.907801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.907801 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -63.926
Base-Backbone interact. energy: 1.046
local terms energy: -67.174010
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -197.067499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.067499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.067499 (E_RNA)
where:
Base-Base interactions energy: -134.347
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.483
local terms energy: -62.237034
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -143.750113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.750113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.750113 (E_RNA)
where:
Base-Base interactions energy: -84.823
where: short stacking energy: -47.519
Base-Backbone interact. energy: -0.098
local terms energy: -58.829361
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -162.068460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.068460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.068460 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.008
local terms energy: -65.305087
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -96.921553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.921553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.921553 (E_RNA)
where:
Base-Base interactions energy: -45.015
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.202
local terms energy: -51.704579
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -86.859648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.859648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.859648 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.067
local terms energy: -46.216393
where:
bonds (distance) C4'-P energy: -8.394
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -77.826835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.826835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.826835 (E_RNA)
where:
Base-Base interactions energy: -27.610
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.057
local terms energy: -50.159998
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -220.276229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.276229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276229 (E_RNA)
where:
Base-Base interactions energy: -149.391
where: short stacking energy: -72.307
Base-Backbone interact. energy: -0.002
local terms energy: -70.882992
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.421
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -209.780994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.780994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.780994 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.645
local terms energy: -64.935274
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -207.918084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.918084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918084 (E_RNA)
where:
Base-Base interactions energy: -146.189
where: short stacking energy: -62.734
Base-Backbone interact. energy: 0.121
local terms energy: -61.850587
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -5.469
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: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -198.942150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942150 (E_RNA)
where:
Base-Base interactions energy: -140.764
where: short stacking energy: -50.951
Base-Backbone interact. energy: 0.678
local terms energy: -58.856313
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -10.299
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: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -190.228316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.228316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.228316 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.716
local terms energy: -68.352564
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -177.072916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.072916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072916 (E_RNA)
where:
Base-Base interactions energy: -117.237
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.366
local terms energy: -59.469259
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -133.278632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.278632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.278632 (E_RNA)
where:
Base-Base interactions energy: -81.329
where: short stacking energy: -40.691
Base-Backbone interact. energy: -0.268
local terms energy: -51.682412
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.359
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: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -116.360547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.360547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.360547 (E_RNA)
where:
Base-Base interactions energy: -71.056
where: short stacking energy: -33.240
Base-Backbone interact. energy: -0.205
local terms energy: -45.099873
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -80.301712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.301712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.301712 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.206
local terms energy: -54.205532
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -82.031149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.031149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.031149 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.486
local terms energy: -50.518628
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -6.018
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: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -230.733800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.733800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.733800 (E_RNA)
where:
Base-Base interactions energy: -157.430
where: short stacking energy: -74.297
Base-Backbone interact. energy: -0.005
local terms energy: -73.298708
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -209.287529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.287529 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.003
local terms energy: -68.302763
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -206.881446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881446 (E_RNA)
where:
Base-Base interactions energy: -142.935
where: short stacking energy: -53.062
Base-Backbone interact. energy: -1.261
local terms energy: -62.686340
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -209.879366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879366 (E_RNA)
where:
Base-Base interactions energy: -143.077
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.602
local terms energy: -66.200197
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -191.647981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647981 (E_RNA)
where:
Base-Base interactions energy: -122.856
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.117
local terms energy: -68.674517
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -10.427
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: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -190.664102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.664102 (E_RNA)
where:
Base-Base interactions energy: -125.577
where: short stacking energy: -56.730
Base-Backbone interact. energy: -0.002
local terms energy: -65.084909
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -99.479640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.479640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.479640 (E_RNA)
where:
Base-Base interactions energy: -54.032
where: short stacking energy: -38.065
Base-Backbone interact. energy: -0.635
local terms energy: -44.812878
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -132.471274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.471274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.471274 (E_RNA)
where:
Base-Base interactions energy: -79.141
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.003
local terms energy: -53.327479
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -10.649
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: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -89.132030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.132030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.132030 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -39.586
Base-Backbone interact. energy: -0.018
local terms energy: -49.348680
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -75.488898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.488898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.488898 (E_RNA)
where:
Base-Base interactions energy: -22.437
where: short stacking energy: -22.437
Base-Backbone interact. energy: -0.535
local terms energy: -52.517063
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -222.586475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.586475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.586475 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -75.534
Base-Backbone interact. energy: -0.691
local terms energy: -76.761016
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -226.126512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.126512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.126512 (E_RNA)
where:
Base-Base interactions energy: -160.903
where: short stacking energy: -49.891
Base-Backbone interact. energy: -0.740
local terms energy: -64.483317
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -204.938860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938860 (E_RNA)
where:
Base-Base interactions energy: -141.288
where: short stacking energy: -70.546
Base-Backbone interact. energy: 0.420
local terms energy: -64.070583
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -0.982
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -214.238486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238486 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.334
local terms energy: -75.993272
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -205.428169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.428169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.428169 (E_RNA)
where:
Base-Base interactions energy: -138.984
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.173
local terms energy: -66.271231
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -187.044415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.044415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.044415 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.082
local terms energy: -57.153852
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -97.144401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144401 (E_RNA)
where:
Base-Base interactions energy: -49.789
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.848
local terms energy: -46.507189
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -6.767
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: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -76.184273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.184273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.184273 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.260
local terms energy: -47.363314
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -6.655
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -121.875545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.875545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.875545 (E_RNA)
where:
Base-Base interactions energy: -75.332
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.125
local terms energy: -46.418497
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -82.639123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.639123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.639123 (E_RNA)
where:
Base-Base interactions energy: -41.335
where: short stacking energy: -21.153
Base-Backbone interact. energy: 0.343
local terms energy: -41.648015
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -9.683
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -227.817568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.817568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.817568 (E_RNA)
where:
Base-Base interactions energy: -158.675
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.241
local terms energy: -68.901287
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -9.390
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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -212.375928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.375928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375928 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -62.150
Base-Backbone interact. energy: 0.169
local terms energy: -71.658538
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -204.291907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.291907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.291907 (E_RNA)
where:
Base-Base interactions energy: -132.559
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.002
local terms energy: -71.730392
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.306
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: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -188.422788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.422788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.422788 (E_RNA)
where:
Base-Base interactions energy: -116.927
where: short stacking energy: -62.493
Base-Backbone interact. energy: -1.140
local terms energy: -70.355237
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -191.729639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.729639 (E_RNA)
where:
Base-Base interactions energy: -124.569
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.114
local terms energy: -67.046427
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.769
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: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -194.331344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.331344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.331344 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -53.804
Base-Backbone interact. energy: 0.787
local terms energy: -61.829363
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -95.927462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.927462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.927462 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.347
local terms energy: -58.134204
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -93.130670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.130670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.130670 (E_RNA)
where:
Base-Base interactions energy: -38.340
where: short stacking energy: -34.818
Base-Backbone interact. energy: 0.961
local terms energy: -55.751830
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -121.063365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.063365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.063365 (E_RNA)
where:
Base-Base interactions energy: -73.454
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.966
local terms energy: -46.643214
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.575005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575005 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.040
local terms energy: -43.666023
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -5.311
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -228.882565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.882565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882565 (E_RNA)
where:
Base-Base interactions energy: -161.944
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.833
local terms energy: -66.106275
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.423
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: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -204.003097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.003097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.003097 (E_RNA)
where:
Base-Base interactions energy: -134.325
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.445
local terms energy: -69.233485
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -206.058962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.058962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.058962 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.019
local terms energy: -62.639379
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -201.864487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.864487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.864487 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -52.320
Base-Backbone interact. energy: -0.175
local terms energy: -66.649478
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -197.819471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.819471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.819471 (E_RNA)
where:
Base-Base interactions energy: -120.995
where: short stacking energy: -63.534
Base-Backbone interact. energy: -0.249
local terms energy: -76.574625
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -197.174168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.174168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.174168 (E_RNA)
where:
Base-Base interactions energy: -133.889
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.007
local terms energy: -63.277454
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -109.579522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.579522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.579522 (E_RNA)
where:
Base-Base interactions energy: -53.912
where: short stacking energy: -35.923
Base-Backbone interact. energy: 0.819
local terms energy: -56.485814
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -125.221340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.221340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.221340 (E_RNA)
where:
Base-Base interactions energy: -67.070
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.510
local terms energy: -57.641844
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -6.739
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: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -81.446708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.446708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.446708 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -22.058
Base-Backbone interact. energy: 0.275
local terms energy: -47.257837
where:
bonds (distance) C4'-P energy: -6.989
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.491265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.491265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.491265 (E_RNA)
where:
Base-Base interactions energy: -18.613
where: short stacking energy: -17.537
Base-Backbone interact. energy: -0.229
local terms energy: -58.649377
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -210.389650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389650 (E_RNA)
where:
Base-Base interactions energy: -136.355
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.004
local terms energy: -74.029931
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -221.985843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985843 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -52.675
Base-Backbone interact. energy: 0.150
local terms energy: -65.074282
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -206.447668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447668 (E_RNA)
where:
Base-Base interactions energy: -135.163
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.050
local terms energy: -71.234363
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -20.716
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -205.372863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.372863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.372863 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -59.722
Base-Backbone interact. energy: 0.418
local terms energy: -73.005873
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -17.645
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: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -189.439797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.439797 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.163
local terms energy: -65.464540
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -182.975490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.975490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.975490 (E_RNA)
where:
Base-Base interactions energy: -119.040
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.106
local terms energy: -63.830089
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -127.700389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.700389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.700389 (E_RNA)
where:
Base-Base interactions energy: -78.106
where: short stacking energy: -45.599
Base-Backbone interact. energy: -0.044
local terms energy: -49.550450
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -86.870607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870607 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.283
local terms energy: -39.813918
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -1.690
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -78.267724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267724 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -19.733
Base-Backbone interact. energy: -0.183
local terms energy: -48.273131
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -2.688
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: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -76.031154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.031154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.031154 (E_RNA)
where:
Base-Base interactions energy: -26.157
where: short stacking energy: -25.951
Base-Backbone interact. energy: -0.163
local terms energy: -49.710922
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -217.973006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.973006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.973006 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -65.239
Base-Backbone interact. energy: -1.070
local terms energy: -73.971400
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -219.073740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.073740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.073740 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.052
local terms energy: -76.085785
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -221.014847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014847 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -68.624
Base-Backbone interact. energy: 0.335
local terms energy: -73.293951
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.383
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -199.338571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.338571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.338571 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.089
local terms energy: -68.684975
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -197.885855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.885855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.885855 (E_RNA)
where:
Base-Base interactions energy: -131.070
where: short stacking energy: -59.313
Base-Backbone interact. energy: -0.005
local terms energy: -66.810684
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -15.655
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: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -171.750405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.750405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.750405 (E_RNA)
where:
Base-Base interactions energy: -103.705
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.001
local terms energy: -68.043596
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -153.256027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.256027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.256027 (E_RNA)
where:
Base-Base interactions energy: -83.596
where: short stacking energy: -45.573
Base-Backbone interact. energy: -0.055
local terms energy: -69.604749
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -16.297
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -83.822831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.822831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.822831 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -30.049
Base-Backbone interact. energy: 2.428
local terms energy: -52.889898
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -85.641501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641501 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.183
local terms energy: -53.885800
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -79.947367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.947367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.947367 (E_RNA)
where:
Base-Base interactions energy: -29.164
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.042
local terms energy: -50.740801
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.299
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -217.627399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627399 (E_RNA)
where:
Base-Base interactions energy: -147.062
where: short stacking energy: -68.451
Base-Backbone interact. energy: -0.003
local terms energy: -70.562090
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -214.101748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.101748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.101748 (E_RNA)
where:
Base-Base interactions energy: -140.478
where: short stacking energy: -67.652
Base-Backbone interact. energy: 0.002
local terms energy: -73.625375
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -227.486785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.486785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.486785 (E_RNA)
where:
Base-Base interactions energy: -161.875
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.695
local terms energy: -64.916985
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -198.293545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.293545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.293545 (E_RNA)
where:
Base-Base interactions energy: -134.878
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.003
local terms energy: -63.411728
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -188.294119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.294119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.294119 (E_RNA)
where:
Base-Base interactions energy: -117.141
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.161
local terms energy: -70.992158
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -150.664940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.664940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.664940 (E_RNA)
where:
Base-Base interactions energy: -97.442
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.010
local terms energy: -53.213073
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -142.559051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.559051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.559051 (E_RNA)
where:
Base-Base interactions energy: -74.434
where: short stacking energy: -42.436
Base-Backbone interact. energy: -0.372
local terms energy: -67.753284
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.031
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: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -84.902248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902248 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.082
local terms energy: -46.681137
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -83.622422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622422 (E_RNA)
where:
Base-Base interactions energy: -28.752
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.135
local terms energy: -54.735457
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -6.445
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: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -89.705623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705623 (E_RNA)
where:
Base-Base interactions energy: -50.095
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.161
local terms energy: -39.449764
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -211.712733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712733 (E_RNA)
where:
Base-Base interactions energy: -132.516
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.024
local terms energy: -79.172510
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -228.292555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.292555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.292555 (E_RNA)
where:
Base-Base interactions energy: -156.707
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.790
local terms energy: -70.795789
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -218.270735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.270735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.270735 (E_RNA)
where:
Base-Base interactions energy: -147.029
where: short stacking energy: -69.834
Base-Backbone interact. energy: -1.042
local terms energy: -70.199703
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -192.912736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.912736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.912736 (E_RNA)
where:
Base-Base interactions energy: -122.225
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.036
local terms energy: -70.652218
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -18.043
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: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -194.892329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.892329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.892329 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -57.167
Base-Backbone interact. energy: 0.134
local terms energy: -69.764137
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.837
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: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -139.257351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.257351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.257351 (E_RNA)
where:
Base-Base interactions energy: -80.305
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.382
local terms energy: -58.570233
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -5.481
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -150.142212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.142212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.142212 (E_RNA)
where:
Base-Base interactions energy: -81.211
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.315
local terms energy: -68.616134
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -82.914873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914873 (E_RNA)
where:
Base-Base interactions energy: -29.978
where: short stacking energy: -24.742
Base-Backbone interact. energy: -0.200
local terms energy: -52.737436
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -110.857312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.857312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.857312 (E_RNA)
where:
Base-Base interactions energy: -54.120
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.555
local terms energy: -56.183078
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -83.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905853 (E_RNA)
where:
Base-Base interactions energy: -42.565
where: short stacking energy: -18.724
Base-Backbone interact. energy: 0.808
local terms energy: -42.149559
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -1.563
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: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -228.337266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.337266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.337266 (E_RNA)
where:
Base-Base interactions energy: -163.320
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.029
local terms energy: -64.987884
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -14.028
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: 286
Temperature: 0.950000
Total energy: -199.691723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.691723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.691723 (E_RNA)
where:
Base-Base interactions energy: -131.124
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.143
local terms energy: -68.425100
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -199.495006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.495006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.495006 (E_RNA)
where:
Base-Base interactions energy: -127.041
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.387
local terms energy: -72.066642
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -15.839
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: 286
Temperature: 1.050000
Total energy: -218.964809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.964809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964809 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.004
local terms energy: -76.172939
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -191.540254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.540254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.540254 (E_RNA)
where:
Base-Base interactions energy: -128.253
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.241
local terms energy: -63.046696
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -154.059162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.059162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.059162 (E_RNA)
where:
Base-Base interactions energy: -99.685
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.055
local terms energy: -54.318409
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -9.099
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -97.400892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400892 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.011
local terms energy: -58.244306
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -7.365
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: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -142.431081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.431081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.431081 (E_RNA)
where:
Base-Base interactions energy: -88.874
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.674
local terms energy: -52.883212
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -83.159105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159105 (E_RNA)
where:
Base-Base interactions energy: -50.283
where: short stacking energy: -18.659
Base-Backbone interact. energy: -0.494
local terms energy: -32.381990
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: 0.422
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: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -86.734431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734431 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.211
local terms energy: -47.463571
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -223.069986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.069986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069986 (E_RNA)
where:
Base-Base interactions energy: -156.346
where: short stacking energy: -62.827
Base-Backbone interact. energy: 0.216
local terms energy: -66.940642
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -214.365576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.365576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.365576 (E_RNA)
where:
Base-Base interactions energy: -146.584
where: short stacking energy: -68.027
Base-Backbone interact. energy: -0.271
local terms energy: -67.510586
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.299
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -197.059114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.059114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.059114 (E_RNA)
where:
Base-Base interactions energy: -125.993
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.167
local terms energy: -70.898864
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -14.203
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -202.776710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.776710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.776710 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.488
local terms energy: -65.372909
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.750
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: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -202.172189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172189 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.444
local terms energy: -72.141747
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -168.112352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.112352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.112352 (E_RNA)
where:
Base-Base interactions energy: -105.765
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.109
local terms energy: -62.238303
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -90.581650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581650 (E_RNA)
where:
Base-Base interactions energy: -40.180
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.029
local terms energy: -50.373389
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -8.419
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: 287
Temperature: 1.250000
Total energy: -127.588817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.588817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.588817 (E_RNA)
where:
Base-Base interactions energy: -69.494
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.132
local terms energy: -57.962444
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -9.235
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: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -92.483665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.483665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.483665 (E_RNA)
where:
Base-Base interactions energy: -50.313
where: short stacking energy: -19.971
Base-Backbone interact. energy: -0.094
local terms energy: -42.076573
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: 1.022
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: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -85.760445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760445 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -31.038
Base-Backbone interact. energy: 0.185
local terms energy: -47.133643
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -8.063
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: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -229.159234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.159234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.159234 (E_RNA)
where:
Base-Base interactions energy: -165.675
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.170
local terms energy: -63.314331
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.570
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: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -207.891663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.891663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.891663 (E_RNA)
where:
Base-Base interactions energy: -140.001
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.240
local terms energy: -67.650328
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -12.566
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: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -212.051009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.051009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.051009 (E_RNA)
where:
Base-Base interactions energy: -135.842
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.032
local terms energy: -76.177098
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -196.001243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.001243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001243 (E_RNA)
where:
Base-Base interactions energy: -133.518
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.156
local terms energy: -62.326927
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -12.816
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -173.476230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.476230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.476230 (E_RNA)
where:
Base-Base interactions energy: -105.420
where: short stacking energy: -58.838
Base-Backbone interact. energy: -0.013
local terms energy: -68.042327
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -189.065662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065662 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.000
local terms energy: -58.376255
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -129.795679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.795679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.795679 (E_RNA)
where:
Base-Base interactions energy: -69.597
where: short stacking energy: -38.327
Base-Backbone interact. energy: -1.492
local terms energy: -58.705980
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.138
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: 288
Temperature: 1.250000
Total energy: -99.485521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.485521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.485521 (E_RNA)
where:
Base-Base interactions energy: -47.951
where: short stacking energy: -32.176
Base-Backbone interact. energy: -0.102
local terms energy: -51.433041
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -4.060
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: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -101.440350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.440350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.440350 (E_RNA)
where:
Base-Base interactions energy: -45.945
where: short stacking energy: -37.683
Base-Backbone interact. energy: -0.258
local terms energy: -55.236849
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -92.105649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.105649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.105649 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.062
local terms energy: -60.777842
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -11.470
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: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -230.448133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.448133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.448133 (E_RNA)
where:
Base-Base interactions energy: -163.803
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.519
local terms energy: -66.126570
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -212.892974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.892974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.892974 (E_RNA)
where:
Base-Base interactions energy: -145.620
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.345
local terms energy: -66.928426
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -203.240626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.240626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.240626 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.160
local terms energy: -64.833892
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.150
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: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -194.857770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.857770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.857770 (E_RNA)
where:
Base-Base interactions energy: -136.736
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.010
local terms energy: -58.111423
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -170.030001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.030001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.030001 (E_RNA)
where:
Base-Base interactions energy: -101.810
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.027
local terms energy: -68.192922
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.191
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: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -189.779081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.779081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.779081 (E_RNA)
where:
Base-Base interactions energy: -125.799
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.089
local terms energy: -63.890852
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -139.085883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.085883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.085883 (E_RNA)
where:
Base-Base interactions energy: -84.915
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.230
local terms energy: -53.940916
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -88.358526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.358526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.358526 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -24.360
Base-Backbone interact. energy: -0.091
local terms energy: -44.797838
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: 1.912
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -78.224713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.224713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.224713 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.182
local terms energy: -48.187795
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -71.103290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.103290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.103290 (E_RNA)
where:
Base-Base interactions energy: -21.269
where: short stacking energy: -20.730
Base-Backbone interact. energy: -0.998
local terms energy: -48.836921
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -229.773896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.773896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.773896 (E_RNA)
where:
Base-Base interactions energy: -160.900
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.781
local terms energy: -68.092586
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -207.911662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.911662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911662 (E_RNA)
where:
Base-Base interactions energy: -134.917
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.032
local terms energy: -72.963324
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.205
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: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -205.946382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.946382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946382 (E_RNA)
where:
Base-Base interactions energy: -125.860
where: short stacking energy: -52.582
Base-Backbone interact. energy: -0.741
local terms energy: -79.346046
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.827
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: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -203.432108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432108 (E_RNA)
where:
Base-Base interactions energy: -135.485
where: short stacking energy: -64.078
Base-Backbone interact. energy: -1.513
local terms energy: -66.434234
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -192.258014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.258014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.258014 (E_RNA)
where:
Base-Base interactions energy: -121.361
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.008
local terms energy: -70.888814
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -150.174139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.174139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.174139 (E_RNA)
where:
Base-Base interactions energy: -95.122
where: short stacking energy: -49.089
Base-Backbone interact. energy: -0.290
local terms energy: -54.762137
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -131.361307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.361307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.361307 (E_RNA)
where:
Base-Base interactions energy: -75.872
where: short stacking energy: -41.881
Base-Backbone interact. energy: -0.815
local terms energy: -54.673422
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -82.757198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.757198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.757198 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -19.362
Base-Backbone interact. energy: -0.125
local terms energy: -49.640888
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -2.604
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -79.304645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.304645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.304645 (E_RNA)
where:
Base-Base interactions energy: -35.690
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.179
local terms energy: -43.436382
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -3.720
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: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -97.694323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.694323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.694323 (E_RNA)
where:
Base-Base interactions energy: -53.579
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.319
local terms energy: -43.796334
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -7.691
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -226.770054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.770054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.770054 (E_RNA)
where:
Base-Base interactions energy: -157.496
where: short stacking energy: -55.329
Base-Backbone interact. energy: 0.170
local terms energy: -69.443862
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -213.517910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.517910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.517910 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -67.556
Base-Backbone interact. energy: -0.080
local terms energy: -70.252057
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -19.701
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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -204.655917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.655917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.655917 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.015
local terms energy: -75.676425
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -198.433309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.433309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433309 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.549
local terms energy: -66.726137
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -2.476
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -202.611198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611198 (E_RNA)
where:
Base-Base interactions energy: -132.585
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.002
local terms energy: -70.024670
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -9.132
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: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -158.975922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.975922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.975922 (E_RNA)
where:
Base-Base interactions energy: -106.791
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.391
local terms energy: -51.794165
where:
bonds (distance) C4'-P energy: -4.963
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -118.363007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.363007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.363007 (E_RNA)
where:
Base-Base interactions energy: -74.098
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.114
local terms energy: -44.150886
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -88.689983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.689983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.689983 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.132
local terms energy: -52.706373
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -82.673471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673471 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -23.529
Base-Backbone interact. energy: -1.436
local terms energy: -46.036737
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -1.446
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -86.018824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.018824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.018824 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.169
local terms energy: -51.168826
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -4.255
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: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -233.862864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.862864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.862864 (E_RNA)
where:
Base-Base interactions energy: -160.006
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.205
local terms energy: -73.652059
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -216.935561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935561 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -66.537
Base-Backbone interact. energy: -0.007
local terms energy: -75.185690
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -199.101044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101044 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.025
local terms energy: -69.661562
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -204.020099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.020099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.020099 (E_RNA)
where:
Base-Base interactions energy: -136.986
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.193
local terms energy: -66.840842
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -188.617711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.617711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.617711 (E_RNA)
where:
Base-Base interactions energy: -122.158
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.003
local terms energy: -66.456991
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -17.482
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: 292
Temperature: 1.150000
Total energy: -145.924924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.924924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.924924 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -33.516
Base-Backbone interact. energy: -0.712
local terms energy: -52.991494
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -2.189
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: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -94.719223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.719223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.719223 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -24.342
Base-Backbone interact. energy: 0.861
local terms energy: -55.263778
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -110.733855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.733855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.733855 (E_RNA)
where:
Base-Base interactions energy: -62.604
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.715
local terms energy: -47.415054
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -90.609307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609307 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.029
local terms energy: -46.560206
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -86.171352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.171352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.171352 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -34.263
Base-Backbone interact. energy: -0.297
local terms energy: -50.453428
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -238.864243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.864243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.864243 (E_RNA)
where:
Base-Base interactions energy: -170.827
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.941
local terms energy: -67.096656
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.728
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: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -219.645571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645571 (E_RNA)
where:
Base-Base interactions energy: -151.605
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.007
local terms energy: -68.034026
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -17.843
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -201.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124474 (E_RNA)
where:
Base-Base interactions energy: -130.939
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.012
local terms energy: -70.173896
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -11.716
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: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -190.552223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552223 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -63.204
Base-Backbone interact. energy: 0.264
local terms energy: -62.474127
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -11.545
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: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -184.426149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.426149 (E_RNA)
where:
Base-Base interactions energy: -117.261
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.727
local terms energy: -66.438047
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -11.230
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: 293
Temperature: 1.150000
Total energy: -151.633532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.633532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.633532 (E_RNA)
where:
Base-Base interactions energy: -91.163
where: short stacking energy: -46.290
Base-Backbone interact. energy: -0.140
local terms energy: -60.330197
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -92.088246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088246 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.077
local terms energy: -57.768443
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.774
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: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -93.020027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.020027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.020027 (E_RNA)
where:
Base-Base interactions energy: -51.382
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.351
local terms energy: -41.286979
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -80.579926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.579926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.579926 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -31.308
Base-Backbone interact. energy: -1.281
local terms energy: -44.282054
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -7.485
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: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -76.079187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.079187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.079187 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.310
local terms energy: -42.923354
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -0.684
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -239.724818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.724818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.724818 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.546
local terms energy: -71.623004
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -213.690490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690490 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -70.064
Base-Backbone interact. energy: -0.212
local terms energy: -76.247043
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -18.175
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: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -218.986095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986095 (E_RNA)
where:
Base-Base interactions energy: -147.721
where: short stacking energy: -67.986
Base-Backbone interact. energy: -0.004
local terms energy: -71.261386
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -18.698
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: 294
Temperature: 1.050000
Total energy: -180.738425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.738425 (E_RNA)
where:
Base-Base interactions energy: -116.576
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.116
local terms energy: -64.046281
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.811
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: 294
Temperature: 1.100000
Total energy: -184.059055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.059055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.059055 (E_RNA)
where:
Base-Base interactions energy: -130.656
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.116
local terms energy: -53.286701
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -12.103
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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -150.953402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.953402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.953402 (E_RNA)
where:
Base-Base interactions energy: -86.802
where: short stacking energy: -40.950
Base-Backbone interact. energy: -0.474
local terms energy: -63.677739
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -102.656642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.656642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.656642 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.028
local terms energy: -64.352155
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -11.273
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: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -94.695461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.695461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.695461 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.095
local terms energy: -58.529873
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -86.756071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.756071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.756071 (E_RNA)
where:
Base-Base interactions energy: -34.990
where: short stacking energy: -27.577
Base-Backbone interact. energy: 0.175
local terms energy: -51.940157
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -7.893
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: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -91.918041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.918041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.918041 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -17.584
Base-Backbone interact. energy: -0.151
local terms energy: -40.942374
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -229.037569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.037569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.037569 (E_RNA)
where:
Base-Base interactions energy: -158.078
where: short stacking energy: -58.978
Base-Backbone interact. energy: -1.100
local terms energy: -69.859767
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -217.538262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538262 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -68.841
Base-Backbone interact. energy: -0.001
local terms energy: -74.743697
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -199.268533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.268533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.268533 (E_RNA)
where:
Base-Base interactions energy: -133.692
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.293
local terms energy: -65.282955
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -202.600966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.600966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.600966 (E_RNA)
where:
Base-Base interactions energy: -131.595
where: short stacking energy: -64.154
Base-Backbone interact. energy: -0.003
local terms energy: -71.002307
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -189.820941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.820941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.820941 (E_RNA)
where:
Base-Base interactions energy: -124.626
where: short stacking energy: -62.063
Base-Backbone interact. energy: 1.000
local terms energy: -66.194816
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -159.557830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.557830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.557830 (E_RNA)
where:
Base-Base interactions energy: -102.322
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.046
local terms energy: -57.189808
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -91.279730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.279730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.279730 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.821
local terms energy: -47.750989
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -2.149
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: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -80.255231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255231 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -25.002
Base-Backbone interact. energy: -0.097
local terms energy: -50.842009
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -119.234857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.234857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.234857 (E_RNA)
where:
Base-Base interactions energy: -61.306
where: short stacking energy: -36.144
Base-Backbone interact. energy: 1.212
local terms energy: -59.141167
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -7.669
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -88.224351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224351 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -20.558
Base-Backbone interact. energy: -0.262
local terms energy: -54.650514
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -2.748
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: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -210.966043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.966043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.966043 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.539
local terms energy: -72.185644
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -228.390690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.390690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.390690 (E_RNA)
where:
Base-Base interactions energy: -165.271
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.216
local terms energy: -62.903491
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -12.538
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: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -200.040705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.040705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.040705 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -56.525
Base-Backbone interact. energy: -0.002
local terms energy: -65.756391
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -195.354871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.354871 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.016
local terms energy: -66.880161
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -13.057
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: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -202.173283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.173283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.173283 (E_RNA)
where:
Base-Base interactions energy: -130.214
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.338
local terms energy: -71.621202
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -132.021805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.021805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.021805 (E_RNA)
where:
Base-Base interactions energy: -78.344
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.640
local terms energy: -53.038194
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -7.641
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: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -94.644766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.644766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.644766 (E_RNA)
where:
Base-Base interactions energy: -36.437
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.115
local terms energy: -58.092718
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -4.108
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -88.851652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.851652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.851652 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.091
local terms energy: -52.147202
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -77.639362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.639362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.639362 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -29.517
Base-Backbone interact. energy: 0.356
local terms energy: -48.019200
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -88.076329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.076329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.076329 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -32.914
Base-Backbone interact. energy: -0.090
local terms energy: -55.072484
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -223.236077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.236077 (E_RNA)
where:
Base-Base interactions energy: -150.989
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.256
local terms energy: -71.990749
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -19.300
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: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -220.508054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.508054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.508054 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.911
local terms energy: -62.601817
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -203.259717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.259717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259717 (E_RNA)
where:
Base-Base interactions energy: -135.243
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.010
local terms energy: -68.006856
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -7.649
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -202.293076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293076 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.000
local terms energy: -73.570530
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -198.035083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.035083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035083 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -58.982
Base-Backbone interact. energy: 0.609
local terms energy: -63.942292
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -151.111546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.111546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.111546 (E_RNA)
where:
Base-Base interactions energy: -93.682
where: short stacking energy: -48.325
Base-Backbone interact. energy: -0.320
local terms energy: -57.109942
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -98.146449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146449 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -46.502
Base-Backbone interact. energy: -0.006
local terms energy: -51.638801
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -88.699526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699526 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -25.296
Base-Backbone interact. energy: -0.179
local terms energy: -52.128291
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -1.883
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: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -88.126039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.126039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.126039 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.153
local terms energy: -52.001910
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -8.522
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: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -85.155815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155815 (E_RNA)
where:
Base-Base interactions energy: -32.425
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.553
local terms energy: -52.176920
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -230.259870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.259870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.259870 (E_RNA)
where:
Base-Base interactions energy: -158.371
where: short stacking energy: -66.878
Base-Backbone interact. energy: -0.636
local terms energy: -71.253111
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -9.673
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: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -224.238985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.238985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.238985 (E_RNA)
where:
Base-Base interactions energy: -152.732
where: short stacking energy: -75.622
Base-Backbone interact. energy: -0.012
local terms energy: -71.495045
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -204.192568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.192568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.192568 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -63.174
Base-Backbone interact. energy: -0.277
local terms energy: -70.509752
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -14.622
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -192.269839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269839 (E_RNA)
where:
Base-Base interactions energy: -124.013
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.039
local terms energy: -68.217659
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -192.657358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.657358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.657358 (E_RNA)
where:
Base-Base interactions energy: -130.845
where: short stacking energy: -60.055
Base-Backbone interact. energy: 1.252
local terms energy: -63.064095
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -158.958373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.958373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.958373 (E_RNA)
where:
Base-Base interactions energy: -97.411
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.666
local terms energy: -60.881322
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -72.351923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.351923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.351923 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.029
local terms energy: -39.231166
where:
bonds (distance) C4'-P energy: -7.209
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -99.503523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.503523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.503523 (E_RNA)
where:
Base-Base interactions energy: -46.875
where: short stacking energy: -22.848
Base-Backbone interact. energy: -0.401
local terms energy: -52.227734
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -96.093510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.093510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.093510 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.041
local terms energy: -57.243677
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -84.412438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412438 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -24.420
Base-Backbone interact. energy: 0.449
local terms energy: -45.984408
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -3.251
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: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -224.406689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.406689 (E_RNA)
where:
Base-Base interactions energy: -152.627
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.142
local terms energy: -71.637945
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -212.029645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.029645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029645 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.086
local terms energy: -76.992798
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -18.990
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: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -214.436456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.436456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.436456 (E_RNA)
where:
Base-Base interactions energy: -144.090
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.007
local terms energy: -70.338709
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -199.642185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.642185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.642185 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.018
local terms energy: -65.762960
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -172.472917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.472917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.472917 (E_RNA)
where:
Base-Base interactions energy: -108.279
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.068
local terms energy: -64.126241
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -105.620954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.620954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.620954 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -43.914
Base-Backbone interact. energy: -0.047
local terms energy: -61.660199
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -8.854
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: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -158.227785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.227785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.227785 (E_RNA)
where:
Base-Base interactions energy: -90.168
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.693
local terms energy: -67.366866
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -96.457114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457114 (E_RNA)
where:
Base-Base interactions energy: -41.114
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.338
local terms energy: -55.005299
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -78.816631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816631 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -27.931
Base-Backbone interact. energy: 0.372
local terms energy: -49.452875
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -3.642
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -74.346240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.346240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.346240 (E_RNA)
where:
Base-Base interactions energy: -23.359
where: short stacking energy: -22.021
Base-Backbone interact. energy: -0.539
local terms energy: -50.447944
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -9.049
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: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -225.772616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.772616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772616 (E_RNA)
where:
Base-Base interactions energy: -160.391
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.213
local terms energy: -65.168558
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -213.338414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338414 (E_RNA)
where:
Base-Base interactions energy: -144.582
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.981
local terms energy: -67.775412
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -196.710338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.710338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.710338 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.095
local terms energy: -66.101306
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -11.245
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: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -191.246583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.246583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.246583 (E_RNA)
where:
Base-Base interactions energy: -129.129
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.371
local terms energy: -61.746496
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -180.736569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.736569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.736569 (E_RNA)
where:
Base-Base interactions energy: -123.671
where: short stacking energy: -46.403
Base-Backbone interact. energy: -1.783
local terms energy: -55.282356
where:
bonds (distance) C4'-P energy: -7.281
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -110.375206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.375206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.375206 (E_RNA)
where:
Base-Base interactions energy: -51.944
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.798
local terms energy: -57.633261
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -88.661532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.661532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.661532 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -33.611
Base-Backbone interact. energy: -0.088
local terms energy: -49.215755
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -138.860374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.860374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.860374 (E_RNA)
where:
Base-Base interactions energy: -85.079
where: short stacking energy: -43.107
Base-Backbone interact. energy: -0.228
local terms energy: -53.552744
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.298369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298369 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -38.064
Base-Backbone interact. energy: -1.040
local terms energy: -40.990177
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -91.166183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.166183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.166183 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.004
local terms energy: -54.949662
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -230.930459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930459 (E_RNA)
where:
Base-Base interactions energy: -157.841
where: short stacking energy: -62.743
Base-Backbone interact. energy: -0.317
local terms energy: -72.772662
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -11.693
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -202.077366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.077366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.077366 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -61.812
Base-Backbone interact. energy: -0.046
local terms energy: -72.106945
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -212.609683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609683 (E_RNA)
where:
Base-Base interactions energy: -146.511
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.002
local terms energy: -66.095890
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -189.334632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.334632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.334632 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.218
local terms energy: -58.037950
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -189.636233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.636233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.636233 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.073
local terms energy: -57.490485
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -129.184907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.184907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.184907 (E_RNA)
where:
Base-Base interactions energy: -68.111
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.095
local terms energy: -60.978733
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -90.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.936678 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.144
local terms energy: -53.147522
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -85.835186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835186 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -36.951
Base-Backbone interact. energy: 0.485
local terms energy: -49.368697
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -2.986
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: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -81.255213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.255213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.255213 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -33.408
Base-Backbone interact. energy: -0.207
local terms energy: -46.280454
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.648
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: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -80.266723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.266723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.266723 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -28.334
Base-Backbone interact. energy: 0.220
local terms energy: -52.152729
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -8.456
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: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -234.848315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.848315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848315 (E_RNA)
where:
Base-Base interactions energy: -167.368
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.287
local terms energy: -67.193197
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.274
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: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -214.771470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.771470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.771470 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.087
local terms energy: -70.906195
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.208
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: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -206.230176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.230176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.230176 (E_RNA)
where:
Base-Base interactions energy: -141.425
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.120
local terms energy: -64.684575
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -194.500294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.500294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.500294 (E_RNA)
where:
Base-Base interactions energy: -126.421
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.061
local terms energy: -68.018528
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -189.322767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.322767 (E_RNA)
where:
Base-Base interactions energy: -125.238
where: short stacking energy: -62.032
Base-Backbone interact. energy: 2.545
local terms energy: -66.629831
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -105.599536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.599536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.599536 (E_RNA)
where:
Base-Base interactions energy: -45.695
where: short stacking energy: -35.402
Base-Backbone interact. energy: -0.314
local terms energy: -59.589843
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -6.323
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -86.804153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804153 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.229
local terms energy: -52.300885
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -89.597055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.597055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.597055 (E_RNA)
where:
Base-Base interactions energy: -26.965
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.444
local terms energy: -62.188130
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -3.772
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -82.759159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759159 (E_RNA)
where:
Base-Base interactions energy: -33.390
where: short stacking energy: -15.797
Base-Backbone interact. energy: -0.126
local terms energy: -49.242776
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -83.471864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.471864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.471864 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.091
local terms energy: -49.071974
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -214.183684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183684 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.212
local terms energy: -62.725414
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -216.250847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.250847 (E_RNA)
where:
Base-Base interactions energy: -149.928
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.002
local terms energy: -66.320650
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.790
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: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -207.249497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.249497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.249497 (E_RNA)
where:
Base-Base interactions energy: -134.444
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.041
local terms energy: -72.765277
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -200.459293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.459293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.459293 (E_RNA)
where:
Base-Base interactions energy: -132.418
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.075
local terms energy: -67.965939
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -194.398452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.398452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.398452 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -61.440
Base-Backbone interact. energy: 0.330
local terms energy: -69.693152
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -15.411
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: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -99.105324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.105324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.105324 (E_RNA)
where:
Base-Base interactions energy: -44.704
where: short stacking energy: -43.835
Base-Backbone interact. energy: 0.372
local terms energy: -54.773903
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -7.115
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: 303
Temperature: 1.200000
Total energy: -85.685097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.685097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.685097 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.088
local terms energy: -45.403454
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -90.573122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.573122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.573122 (E_RNA)
where:
Base-Base interactions energy: -51.061
where: short stacking energy: -22.955
Base-Backbone interact. energy: -0.123
local terms energy: -39.388913
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: 0.403
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: 303
Temperature: 1.300000
Total energy: -81.822291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.822291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.822291 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.117
local terms energy: -51.876202
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.952
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: 303
Temperature: 1.350000
Total energy: -78.282531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.282531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.282531 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.049
local terms energy: -49.888213
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -5.307
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: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -223.538653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538653 (E_RNA)
where:
Base-Base interactions energy: -145.474
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.001
local terms energy: -78.063508
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -225.368220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368220 (E_RNA)
where:
Base-Base interactions energy: -165.239
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.145
local terms energy: -59.984327
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -209.660380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.660380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660380 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -63.295
Base-Backbone interact. energy: 0.596
local terms energy: -66.869050
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -198.631399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.631399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.631399 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.013
local terms energy: -69.254388
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -182.654583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.654583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.654583 (E_RNA)
where:
Base-Base interactions energy: -121.503
where: short stacking energy: -60.507
Base-Backbone interact. energy: -0.017
local terms energy: -61.135239
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -2.360
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -110.405055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.405055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.405055 (E_RNA)
where:
Base-Base interactions energy: -49.503
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.016
local terms energy: -60.886065
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -147.310025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.310025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.310025 (E_RNA)
where:
Base-Base interactions energy: -87.791
where: short stacking energy: -54.821
Base-Backbone interact. energy: -1.515
local terms energy: -58.004212
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.510472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510472 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.087
local terms energy: -58.499352
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -92.025161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.025161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.025161 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.149
local terms energy: -49.804646
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.950468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.950468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.950468 (E_RNA)
where:
Base-Base interactions energy: -27.959
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.115
local terms energy: -47.876877
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -225.748995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.748995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.748995 (E_RNA)
where:
Base-Base interactions energy: -156.539
where: short stacking energy: -71.199
Base-Backbone interact. energy: 1.978
local terms energy: -71.187232
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -221.370751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.370751 (E_RNA)
where:
Base-Base interactions energy: -162.776
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.546
local terms energy: -58.049268
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -206.761165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.761165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.761165 (E_RNA)
where:
Base-Base interactions energy: -137.686
where: short stacking energy: -53.166
Base-Backbone interact. energy: -0.806
local terms energy: -68.269193
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -186.166697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166697 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.059
local terms energy: -64.015539
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -179.539552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.539552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.539552 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.069
local terms energy: -71.386113
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -11.664
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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -152.262300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.262300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.262300 (E_RNA)
where:
Base-Base interactions energy: -88.235
where: short stacking energy: -43.975
Base-Backbone interact. energy: -0.304
local terms energy: -63.722546
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.067
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: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -108.811079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.811079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.811079 (E_RNA)
where:
Base-Base interactions energy: -50.975
where: short stacking energy: -50.975
Base-Backbone interact. energy: -0.488
local terms energy: -57.347788
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -14.228
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -119.650487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.650487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.650487 (E_RNA)
where:
Base-Base interactions energy: -68.984
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.379
local terms energy: -50.287324
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -4.586
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: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -82.019904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019904 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.070
local terms energy: -52.474026
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.360
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: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -78.028945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.028945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.028945 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.314
local terms energy: -49.703250
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: 1.724
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: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -231.087461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.087461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.087461 (E_RNA)
where:
Base-Base interactions energy: -162.047
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.642
local terms energy: -68.398620
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -221.003075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.003075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.003075 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.181
local terms energy: -65.933834
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -198.654339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.654339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.654339 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -53.789
Base-Backbone interact. energy: -0.109
local terms energy: -66.939087
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -200.181505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.181505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.181505 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.014
local terms energy: -69.222826
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.073
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: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -177.319106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.319106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.319106 (E_RNA)
where:
Base-Base interactions energy: -108.119
where: short stacking energy: -48.642
Base-Backbone interact. energy: 0.150
local terms energy: -69.349905
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -143.205376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.205376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.205376 (E_RNA)
where:
Base-Base interactions energy: -78.605
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.690
local terms energy: -63.910126
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -87.869808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869808 (E_RNA)
where:
Base-Base interactions energy: -29.503
where: short stacking energy: -23.330
Base-Backbone interact. energy: -0.012
local terms energy: -58.354119
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -82.995891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995891 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.020
local terms energy: -51.622803
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -4.742
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: 306
Temperature: 1.300000
Total energy: -89.340013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340013 (E_RNA)
where:
Base-Base interactions energy: -47.189
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.183
local terms energy: -41.967990
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -2.876
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: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -90.987218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.987218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.987218 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -34.623
Base-Backbone interact. energy: -0.077
local terms energy: -54.613933
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -231.768445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.768445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.768445 (E_RNA)
where:
Base-Base interactions energy: -168.452
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.196
local terms energy: -63.120784
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -219.028978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.028978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.028978 (E_RNA)
where:
Base-Base interactions energy: -147.763
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.418
local terms energy: -70.847893
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.684
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: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -192.663610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.663610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663610 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.329
local terms energy: -61.595536
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -199.707993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.707993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.707993 (E_RNA)
where:
Base-Base interactions energy: -123.867
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.506
local terms energy: -75.335563
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -16.614
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -206.286156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.286156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.286156 (E_RNA)
where:
Base-Base interactions energy: -133.761
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.013
local terms energy: -72.512735
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -18.993
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: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -159.761535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.761535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.761535 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.171
local terms energy: -59.188717
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -103.127782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.127782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.127782 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -36.105
Base-Backbone interact. energy: 2.059
local terms energy: -55.128610
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -85.519867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519867 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -20.455
Base-Backbone interact. energy: -0.906
local terms energy: -54.797296
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: 0.507
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: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -91.099252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.099252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.099252 (E_RNA)
where:
Base-Base interactions energy: -35.896
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.032
local terms energy: -55.171052
where:
bonds (distance) C4'-P energy: -6.228
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -81.104404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104404 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -23.375
Base-Backbone interact. energy: 0.291
local terms energy: -43.320521
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -229.360844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.360844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.360844 (E_RNA)
where:
Base-Base interactions energy: -158.341
where: short stacking energy: -58.639
Base-Backbone interact. energy: 0.308
local terms energy: -71.328250
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -216.660785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.660785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660785 (E_RNA)
where:
Base-Base interactions energy: -145.908
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.038
local terms energy: -70.714872
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -14.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -207.892125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.892125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.892125 (E_RNA)
where:
Base-Base interactions energy: -141.994
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.216
local terms energy: -65.682322
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -201.213056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213056 (E_RNA)
where:
Base-Base interactions energy: -132.350
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.318
local terms energy: -68.545162
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -192.783305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783305 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.067
local terms energy: -68.168778
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -17.117
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: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -152.715840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.715840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.715840 (E_RNA)
where:
Base-Base interactions energy: -81.086
where: short stacking energy: -40.242
Base-Backbone interact. energy: -0.013
local terms energy: -71.616535
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.135
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: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -92.205919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205919 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.068
local terms energy: -49.564724
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -136.640081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.640081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.640081 (E_RNA)
where:
Base-Base interactions energy: -72.232
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.082
local terms energy: -64.326552
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -93.224125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.224125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.224125 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.315
local terms energy: -46.588077
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.197
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: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -81.505968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505968 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.039
local terms energy: -44.333694
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.305
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: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -231.088534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.088534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.088534 (E_RNA)
where:
Base-Base interactions energy: -160.063
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.440
local terms energy: -70.585671
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -9.485
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: 309
Temperature: 0.950000
Total energy: -217.412156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.412156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.412156 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.008
local terms energy: -71.363698
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -16.620
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: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -207.722659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.722659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.722659 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.001
local terms energy: -73.601794
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -191.950137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.950137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.950137 (E_RNA)
where:
Base-Base interactions energy: -126.000
where: short stacking energy: -44.160
Base-Backbone interact. energy: -0.031
local terms energy: -65.919953
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -185.147115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.147115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.147115 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.040
local terms energy: -58.140363
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -99.891725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891725 (E_RNA)
where:
Base-Base interactions energy: -45.539
where: short stacking energy: -27.828
Base-Backbone interact. energy: 0.621
local terms energy: -54.972988
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -144.520857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.520857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.520857 (E_RNA)
where:
Base-Base interactions energy: -80.511
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.132
local terms energy: -63.877519
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -134.117729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.117729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.117729 (E_RNA)
where:
Base-Base interactions energy: -85.682
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.553
local terms energy: -47.882990
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -0.908
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -102.661795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.661795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.661795 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.936
local terms energy: -53.926770
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -71.391970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.391970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.391970 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -24.718
Base-Backbone interact. energy: 0.792
local terms energy: -42.262400
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -2.940
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: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -228.003250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.003250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.003250 (E_RNA)
where:
Base-Base interactions energy: -158.540
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.560
local terms energy: -68.902891
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.624
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: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -223.086821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.086821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.086821 (E_RNA)
where:
Base-Base interactions energy: -155.684
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.068
local terms energy: -67.334136
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -205.743040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.743040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.743040 (E_RNA)
where:
Base-Base interactions energy: -144.133
where: short stacking energy: -56.735
Base-Backbone interact. energy: 0.735
local terms energy: -62.344849
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -13.687
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -194.401479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.401479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.401479 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -62.451
Base-Backbone interact. energy: 0.028
local terms energy: -70.294204
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -186.603995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.603995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.603995 (E_RNA)
where:
Base-Base interactions energy: -126.340
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.674
local terms energy: -59.589597
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -96.906818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.906818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.906818 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -31.830
Base-Backbone interact. energy: -1.678
local terms energy: -62.043196
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -154.417237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.417237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.417237 (E_RNA)
where:
Base-Base interactions energy: -99.251
where: short stacking energy: -48.861
Base-Backbone interact. energy: -0.792
local terms energy: -54.374464
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -92.384894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.384894 (E_RNA)
where:
Base-Base interactions energy: -39.502
where: short stacking energy: -34.742
Base-Backbone interact. energy: -1.244
local terms energy: -51.638914
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -6.671
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: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -86.095856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.095856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.095856 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.083
local terms energy: -49.987003
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -82.833185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.833185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.833185 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.252
local terms energy: -46.856133
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -7.916
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: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -235.575646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.575646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.575646 (E_RNA)
where:
Base-Base interactions energy: -168.430
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.119
local terms energy: -67.026559
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.861
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: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -204.575991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.575991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.575991 (E_RNA)
where:
Base-Base interactions energy: -145.482
where: short stacking energy: -54.807
Base-Backbone interact. energy: -0.095
local terms energy: -58.999655
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -212.772696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.772696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.772696 (E_RNA)
where:
Base-Base interactions energy: -139.241
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.198
local terms energy: -73.334075
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -181.259384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.259384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.259384 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -57.233
Base-Backbone interact. energy: -0.005
local terms energy: -71.767076
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.574
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: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -193.252303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.252303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.252303 (E_RNA)
where:
Base-Base interactions energy: -126.949
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.012
local terms energy: -66.291676
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -12.092
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: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -131.010778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.010778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.010778 (E_RNA)
where:
Base-Base interactions energy: -70.633
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.478
local terms energy: -59.899121
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -7.956
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: 311
Temperature: 1.200000
Total energy: -106.195954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.195954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.195954 (E_RNA)
where:
Base-Base interactions energy: -48.521
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.360
local terms energy: -57.315355
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.124
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: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -86.317721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317721 (E_RNA)
where:
Base-Base interactions energy: -36.160
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.053
local terms energy: -50.104752
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -74.271090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.271090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.271090 (E_RNA)
where:
Base-Base interactions energy: -28.941
where: short stacking energy: -22.723
Base-Backbone interact. energy: -0.146
local terms energy: -45.183641
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: 1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -80.319080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319080 (E_RNA)
where:
Base-Base interactions energy: -30.417
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.083
local terms energy: -49.819873
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -206.571785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571785 (E_RNA)
where:
Base-Base interactions energy: -150.886
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.447
local terms energy: -55.238002
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -2.004
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -223.591956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.591956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.591956 (E_RNA)
where:
Base-Base interactions energy: -158.481
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.268
local terms energy: -64.843448
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -213.805507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.805507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.805507 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -68.164
Base-Backbone interact. energy: -0.006
local terms energy: -71.842422
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -196.449174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.449174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.449174 (E_RNA)
where:
Base-Base interactions energy: -122.647
where: short stacking energy: -72.524
Base-Backbone interact. energy: -0.001
local terms energy: -73.801139
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -195.016772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.016772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.016772 (E_RNA)
where:
Base-Base interactions energy: -136.633
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.012
local terms energy: -58.371464
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -13.894
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: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -158.329362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.329362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.329362 (E_RNA)
where:
Base-Base interactions energy: -94.633
where: short stacking energy: -56.572
Base-Backbone interact. energy: 0.019
local terms energy: -63.715035
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -99.311919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.311919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.311919 (E_RNA)
where:
Base-Base interactions energy: -48.044
where: short stacking energy: -39.678
Base-Backbone interact. energy: 0.728
local terms energy: -51.996105
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -5.467
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: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -130.877440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.877440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.877440 (E_RNA)
where:
Base-Base interactions energy: -79.606
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.647
local terms energy: -50.624368
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -8.412
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: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -81.652531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652531 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.390
local terms energy: -44.839274
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -78.202896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.202896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.202896 (E_RNA)
where:
Base-Base interactions energy: -33.474
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.189
local terms energy: -44.539507
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -204.142802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.142802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.142802 (E_RNA)
where:
Base-Base interactions energy: -132.793
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.254
local terms energy: -71.095440
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -226.261161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.261161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.261161 (E_RNA)
where:
Base-Base interactions energy: -163.360
where: short stacking energy: -63.572
Base-Backbone interact. energy: 0.248
local terms energy: -63.148980
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -211.723577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.723577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.723577 (E_RNA)
where:
Base-Base interactions energy: -146.606
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.607
local terms energy: -64.510204
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -212.034192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.034192 (E_RNA)
where:
Base-Base interactions energy: -142.963
where: short stacking energy: -63.678
Base-Backbone interact. energy: -0.010
local terms energy: -69.061225
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -198.978892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.978892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.978892 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.680
local terms energy: -61.402981
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -7.619
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: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -163.970018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.970018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.970018 (E_RNA)
where:
Base-Base interactions energy: -105.997
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.036
local terms energy: -57.936241
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -88.808245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808245 (E_RNA)
where:
Base-Base interactions energy: -43.578
where: short stacking energy: -26.138
Base-Backbone interact. energy: 1.236
local terms energy: -46.466209
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: 2.883
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: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -155.130166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.130166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.130166 (E_RNA)
where:
Base-Base interactions energy: -93.281
where: short stacking energy: -45.013
Base-Backbone interact. energy: -0.898
local terms energy: -60.951822
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -114.435274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.435274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.435274 (E_RNA)
where:
Base-Base interactions energy: -64.351
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.055
local terms energy: -50.029128
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: 0.342
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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -75.254075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.254075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.254075 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.308
local terms energy: -47.684237
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -233.517797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.517797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.517797 (E_RNA)
where:
Base-Base interactions energy: -167.280
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.560
local terms energy: -65.677860
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -210.343671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343671 (E_RNA)
where:
Base-Base interactions energy: -138.215
where: short stacking energy: -57.638
Base-Backbone interact. energy: 0.621
local terms energy: -72.749614
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -211.436445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.436445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.436445 (E_RNA)
where:
Base-Base interactions energy: -143.252
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.325
local terms energy: -67.859026
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -193.323864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.323864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.323864 (E_RNA)
where:
Base-Base interactions energy: -121.056
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.010
local terms energy: -72.257719
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -199.605272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.605272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.605272 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.064
local terms energy: -73.874161
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -152.254485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.254485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.254485 (E_RNA)
where:
Base-Base interactions energy: -98.315
where: short stacking energy: -47.493
Base-Backbone interact. energy: 1.945
local terms energy: -55.884706
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -147.647253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.647253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.647253 (E_RNA)
where:
Base-Base interactions energy: -87.778
where: short stacking energy: -41.548
Base-Backbone interact. energy: -1.157
local terms energy: -58.712126
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -78.484517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.484517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.484517 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -29.363
Base-Backbone interact. energy: 0.410
local terms energy: -49.531804
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.760
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: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -80.952836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.952836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.952836 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.120
local terms energy: -56.697086
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -133.730252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.730252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.730252 (E_RNA)
where:
Base-Base interactions energy: -79.925
where: short stacking energy: -38.440
Base-Backbone interact. energy: -0.888
local terms energy: -52.917136
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: 2.116
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: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -233.011210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.011210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.011210 (E_RNA)
where:
Base-Base interactions energy: -168.664
where: short stacking energy: -56.225
Base-Backbone interact. energy: -0.400
local terms energy: -63.946949
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -215.007410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.007410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007410 (E_RNA)
where:
Base-Base interactions energy: -142.303
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.569
local terms energy: -72.135559
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -205.614746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614746 (E_RNA)
where:
Base-Base interactions energy: -136.756
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.381
local terms energy: -68.477796
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -213.721763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.721763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.721763 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.107
local terms energy: -75.728390
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -192.866130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.866130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.866130 (E_RNA)
where:
Base-Base interactions energy: -127.554
where: short stacking energy: -58.905
Base-Backbone interact. energy: 0.679
local terms energy: -65.991419
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -13.682
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: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -158.212773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.212773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.212773 (E_RNA)
where:
Base-Base interactions energy: -99.618
where: short stacking energy: -56.213
Base-Backbone interact. energy: 1.608
local terms energy: -60.202360
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -156.519470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519470 (E_RNA)
where:
Base-Base interactions energy: -96.691
where: short stacking energy: -44.276
Base-Backbone interact. energy: -1.283
local terms energy: -58.544852
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -99.503544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.503544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.503544 (E_RNA)
where:
Base-Base interactions energy: -44.812
where: short stacking energy: -39.784
Base-Backbone interact. energy: -0.302
local terms energy: -54.389963
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -80.594562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.594562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.594562 (E_RNA)
where:
Base-Base interactions energy: -33.144
where: short stacking energy: -31.585
Base-Backbone interact. energy: -0.038
local terms energy: -47.412529
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -133.413467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.413467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.413467 (E_RNA)
where:
Base-Base interactions energy: -81.057
where: short stacking energy: -40.712
Base-Backbone interact. energy: -0.507
local terms energy: -51.849826
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -6.803
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -220.645950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645950 (E_RNA)
where:
Base-Base interactions energy: -157.775
where: short stacking energy: -56.322
Base-Backbone interact. energy: -0.321
local terms energy: -62.549899
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -6.466
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: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -209.645816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.645816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.645816 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -73.281
Base-Backbone interact. energy: -1.129
local terms energy: -67.333622
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -210.701883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.701883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.701883 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.017
local terms energy: -65.238318
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -202.640005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.640005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.640005 (E_RNA)
where:
Base-Base interactions energy: -129.597
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.495
local terms energy: -72.547905
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -185.007395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.007395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.007395 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -46.384
Base-Backbone interact. energy: -0.140
local terms energy: -62.957340
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -150.523742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.523742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.523742 (E_RNA)
where:
Base-Base interactions energy: -95.819
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.149
local terms energy: -54.555435
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -139.595691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.595691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.595691 (E_RNA)
where:
Base-Base interactions energy: -72.054
where: short stacking energy: -46.028
Base-Backbone interact. energy: -2.052
local terms energy: -65.490006
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -5.771
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: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -84.133290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133290 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -24.938
Base-Backbone interact. energy: -0.071
local terms energy: -56.329217
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -11.302
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: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -134.380045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.380045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.380045 (E_RNA)
where:
Base-Base interactions energy: -73.244
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.300
local terms energy: -60.835208
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -77.347227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.347227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.347227 (E_RNA)
where:
Base-Base interactions energy: -25.749
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.796
local terms energy: -50.802320
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -205.711497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711497 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.078
local terms energy: -67.880717
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -221.501553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.501553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.501553 (E_RNA)
where:
Base-Base interactions energy: -156.463
where: short stacking energy: -59.990
Base-Backbone interact. energy: 0.220
local terms energy: -65.258084
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -213.725891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.725891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725891 (E_RNA)
where:
Base-Base interactions energy: -140.680
where: short stacking energy: -73.612
Base-Backbone interact. energy: -0.001
local terms energy: -73.044687
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -195.610205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.610205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.610205 (E_RNA)
where:
Base-Base interactions energy: -129.382
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.102
local terms energy: -66.126285
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -10.312
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -185.332195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332195 (E_RNA)
where:
Base-Base interactions energy: -125.975
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.003
local terms energy: -59.354195
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -163.564296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.564296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.564296 (E_RNA)
where:
Base-Base interactions energy: -102.584
where: short stacking energy: -47.449
Base-Backbone interact. energy: 0.069
local terms energy: -61.048909
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -12.679
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: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -141.195276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.195276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.195276 (E_RNA)
where:
Base-Base interactions energy: -79.816
where: short stacking energy: -44.345
Base-Backbone interact. energy: 0.570
local terms energy: -61.949396
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -124.156507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.156507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.156507 (E_RNA)
where:
Base-Base interactions energy: -71.388
where: short stacking energy: -36.953
Base-Backbone interact. energy: 0.023
local terms energy: -52.791553
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -96.402558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.402558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.402558 (E_RNA)
where:
Base-Base interactions energy: -50.372
where: short stacking energy: -38.007
Base-Backbone interact. energy: -0.105
local terms energy: -45.925993
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -8.127
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: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -99.494736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.494736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.494736 (E_RNA)
where:
Base-Base interactions energy: -50.817
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.143
local terms energy: -48.534572
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -210.408509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.408509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.408509 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.268
local terms energy: -69.786137
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -217.339099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.339099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.339099 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.011
local terms energy: -74.970959
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -206.085348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.085348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.085348 (E_RNA)
where:
Base-Base interactions energy: -137.334
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.005
local terms energy: -68.746305
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -186.050222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.050222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.050222 (E_RNA)
where:
Base-Base interactions energy: -127.924
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.504
local terms energy: -57.622265
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -200.344710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.344710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.344710 (E_RNA)
where:
Base-Base interactions energy: -133.951
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.253
local terms energy: -66.141028
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -156.385133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.385133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.385133 (E_RNA)
where:
Base-Base interactions energy: -88.993
where: short stacking energy: -45.980
Base-Backbone interact. energy: -0.104
local terms energy: -67.288756
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -120.804747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.804747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.804747 (E_RNA)
where:
Base-Base interactions energy: -71.613
where: short stacking energy: -34.365
Base-Backbone interact. energy: 0.878
local terms energy: -50.069572
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -128.452836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.452836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.452836 (E_RNA)
where:
Base-Base interactions energy: -71.067
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.785
local terms energy: -56.600735
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -75.115795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.115795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.115795 (E_RNA)
where:
Base-Base interactions energy: -24.862
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.032
local terms energy: -50.222256
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -7.181
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: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.775265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775265 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.053
local terms energy: -40.849767
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -215.666325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666325 (E_RNA)
where:
Base-Base interactions energy: -145.688
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.481
local terms energy: -69.497349
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.141
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: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -218.708027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.708027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.708027 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -68.686
Base-Backbone interact. energy: 1.755
local terms energy: -73.740726
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -9.482
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: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -210.852820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.852820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852820 (E_RNA)
where:
Base-Base interactions energy: -147.294
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.837
local terms energy: -62.721783
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -204.168230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.168230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.168230 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.173
local terms energy: -66.176802
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -187.705996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.705996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.705996 (E_RNA)
where:
Base-Base interactions energy: -119.239
where: short stacking energy: -61.917
Base-Backbone interact. energy: 1.851
local terms energy: -70.318022
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -138.275115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.275115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.275115 (E_RNA)
where:
Base-Base interactions energy: -86.171
where: short stacking energy: -40.449
Base-Backbone interact. energy: -0.167
local terms energy: -51.936614
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -2.594
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: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -119.103486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.103486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.103486 (E_RNA)
where:
Base-Base interactions energy: -64.122
where: short stacking energy: -39.432
Base-Backbone interact. energy: -0.064
local terms energy: -54.917073
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -129.389011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.389011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.389011 (E_RNA)
where:
Base-Base interactions energy: -77.702
where: short stacking energy: -46.373
Base-Backbone interact. energy: -0.183
local terms energy: -51.504769
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -79.875363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.875363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.875363 (E_RNA)
where:
Base-Base interactions energy: -30.788
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.035
local terms energy: -49.052565
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -4.169
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: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -76.847514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.847514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.847514 (E_RNA)
where:
Base-Base interactions energy: -29.025
where: short stacking energy: -24.319
Base-Backbone interact. energy: -0.900
local terms energy: -46.922900
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -213.819820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.819820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.819820 (E_RNA)
where:
Base-Base interactions energy: -146.190
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.365
local terms energy: -67.264421
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -6.167
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -205.282125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.282125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.282125 (E_RNA)
where:
Base-Base interactions energy: -143.240
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.096
local terms energy: -61.945983
where:
bonds (distance) C4'-P energy: -6.484
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.262
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: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -207.094463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.094463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.094463 (E_RNA)
where:
Base-Base interactions energy: -138.539
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.083
local terms energy: -68.472153
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -16.418
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: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -196.072407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.072407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.072407 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.352
local terms energy: -60.821013
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -160.567162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.567162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.567162 (E_RNA)
where:
Base-Base interactions energy: -97.700
where: short stacking energy: -45.083
Base-Backbone interact. energy: -0.208
local terms energy: -62.658830
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -174.636208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.636208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.636208 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -58.579
Base-Backbone interact. energy: -1.240
local terms energy: -60.827974
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -14.762
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -134.323795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.323795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.323795 (E_RNA)
where:
Base-Base interactions energy: -74.420
where: short stacking energy: -37.979
Base-Backbone interact. energy: 0.511
local terms energy: -60.415329
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -130.736503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.736503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.736503 (E_RNA)
where:
Base-Base interactions energy: -74.791
where: short stacking energy: -45.491
Base-Backbone interact. energy: -0.080
local terms energy: -55.865940
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -13.747
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: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -73.223918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.223918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.223918 (E_RNA)
where:
Base-Base interactions energy: -25.996
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.599
local terms energy: -46.628862
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -2.156
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -79.402440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402440 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -23.696
Base-Backbone interact. energy: -0.080
local terms energy: -51.612311
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -204.344964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344964 (E_RNA)
where:
Base-Base interactions energy: -129.856
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.364
local terms energy: -74.124251
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -213.990707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.990707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.990707 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.331
local terms energy: -73.743602
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -17.240
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: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -198.893652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.893652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.893652 (E_RNA)
where:
Base-Base interactions energy: -130.957
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.229
local terms energy: -67.708317
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -8.135
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: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -202.945607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.945607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.945607 (E_RNA)
where:
Base-Base interactions energy: -143.306
where: short stacking energy: -65.753
Base-Backbone interact. energy: -1.466
local terms energy: -58.173922
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -10.378
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: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -151.182287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.182287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.182287 (E_RNA)
where:
Base-Base interactions energy: -90.991
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.587
local terms energy: -59.604980
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -182.538158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.538158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.538158 (E_RNA)
where:
Base-Base interactions energy: -114.345
where: short stacking energy: -56.843
Base-Backbone interact. energy: -0.285
local terms energy: -67.908123
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -10.632
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: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -137.555369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.555369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.555369 (E_RNA)
where:
Base-Base interactions energy: -77.095
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.583
local terms energy: -59.877566
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -7.809
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -85.358725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358725 (E_RNA)
where:
Base-Base interactions energy: -36.143
where: short stacking energy: -36.143
Base-Backbone interact. energy: -0.095
local terms energy: -49.120069
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -7.605
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -122.454732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.454732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.454732 (E_RNA)
where:
Base-Base interactions energy: -77.185
where: short stacking energy: -41.636
Base-Backbone interact. energy: -1.233
local terms energy: -44.036766
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -3.154
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -81.352688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.352688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.352688 (E_RNA)
where:
Base-Base interactions energy: -26.265
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.339
local terms energy: -54.748858
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -210.815492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.815492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.815492 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.883
local terms energy: -69.151327
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -215.450392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.450392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.450392 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.119
local terms energy: -70.399244
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -201.769129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.769129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.769129 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -56.417
Base-Backbone interact. energy: 0.431
local terms energy: -75.494126
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -201.249919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.249919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.249919 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -58.048
Base-Backbone interact. energy: -1.156
local terms energy: -68.687539
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -211.621512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.621512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.621512 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.084
local terms energy: -62.409667
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.638
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: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -141.608677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.608677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.608677 (E_RNA)
where:
Base-Base interactions energy: -78.257
where: short stacking energy: -48.402
Base-Backbone interact. energy: -0.097
local terms energy: -63.254208
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -87.038655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.038655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.038655 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -26.527
Base-Backbone interact. energy: 0.075
local terms energy: -51.771232
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -4.372
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: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -129.848780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.848780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.848780 (E_RNA)
where:
Base-Base interactions energy: -66.814
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.404
local terms energy: -62.630798
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -87.228889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.228889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.228889 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -30.516
Base-Backbone interact. energy: 0.092
local terms energy: -53.290680
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -125.540911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.540911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.540911 (E_RNA)
where:
Base-Base interactions energy: -78.644
where: short stacking energy: -40.397
Base-Backbone interact. energy: -0.026
local terms energy: -46.870842
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -8.400
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -207.430921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.430921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.430921 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.008
local terms energy: -74.293766
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -207.378864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.378864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.378864 (E_RNA)
where:
Base-Base interactions energy: -126.987
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.000
local terms energy: -80.391479
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -214.669196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.669196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.669196 (E_RNA)
where:
Base-Base interactions energy: -141.598
where: short stacking energy: -65.370
Base-Backbone interact. energy: -0.412
local terms energy: -72.659415
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -198.787478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.787478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.787478 (E_RNA)
where:
Base-Base interactions energy: -133.911
where: short stacking energy: -60.239
Base-Backbone interact. energy: -0.094
local terms energy: -64.782245
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -175.007099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.007099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.007099 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -49.370
Base-Backbone interact. energy: -0.175
local terms energy: -55.301221
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -135.650632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.650632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.650632 (E_RNA)
where:
Base-Base interactions energy: -76.159
where: short stacking energy: -37.466
Base-Backbone interact. energy: -0.584
local terms energy: -58.907908
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -2.810
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: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -94.188955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.188955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.188955 (E_RNA)
where:
Base-Base interactions energy: -45.416
where: short stacking energy: -45.416
Base-Backbone interact. energy: -0.179
local terms energy: -48.593871
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -125.770117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.770117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.770117 (E_RNA)
where:
Base-Base interactions energy: -73.109
where: short stacking energy: -46.806
Base-Backbone interact. energy: -1.427
local terms energy: -51.234769
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -79.353489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.353489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.353489 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.268
local terms energy: -47.903147
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -1.928
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -79.472422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.472422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.472422 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.437
local terms energy: -38.260505
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -8.401
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -228.510639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.510639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.510639 (E_RNA)
where:
Base-Base interactions energy: -155.154
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.050
local terms energy: -73.306052
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -209.065722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.065722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.065722 (E_RNA)
where:
Base-Base interactions energy: -132.850
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.021
local terms energy: -76.194693
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -196.248445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.248445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.248445 (E_RNA)
where:
Base-Base interactions energy: -125.322
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.044
local terms energy: -70.882380
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -207.248313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248313 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.007
local terms energy: -65.663753
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.633
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -142.939438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.939438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.939438 (E_RNA)
where:
Base-Base interactions energy: -81.349
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.338
local terms energy: -61.252060
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.515
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: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -192.254851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.254851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.254851 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.007
local terms energy: -72.536378
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -105.585608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.585608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.585608 (E_RNA)
where:
Base-Base interactions energy: -64.630
where: short stacking energy: -27.830
Base-Backbone interact. energy: -0.054
local terms energy: -40.901756
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -4.736
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -87.181637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181637 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -26.934
Base-Backbone interact. energy: 0.457
local terms energy: -42.491069
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -103.710686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.710686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.710686 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -35.881
Base-Backbone interact. energy: -0.231
local terms energy: -57.615435
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -74.311726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.311726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.311726 (E_RNA)
where:
Base-Base interactions energy: -26.697
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.226
local terms energy: -47.389329
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -0.055
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: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -210.913839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.913839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.913839 (E_RNA)
where:
Base-Base interactions energy: -130.586
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.109
local terms energy: -80.218553
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -206.752805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.752805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.752805 (E_RNA)
where:
Base-Base interactions energy: -133.266
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.090
local terms energy: -73.396598
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -196.022895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.022895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.022895 (E_RNA)
where:
Base-Base interactions energy: -125.116
where: short stacking energy: -46.711
Base-Backbone interact. energy: -0.104
local terms energy: -70.802295
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -12.409
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: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -201.204739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.204739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.204739 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -51.936
Base-Backbone interact. energy: 0.455
local terms energy: -64.951074
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -5.545
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: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -158.071361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.071361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.071361 (E_RNA)
where:
Base-Base interactions energy: -96.844
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.716
local terms energy: -60.510815
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -10.845
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: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -192.778150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.778150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.778150 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.379
local terms energy: -62.251324
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.708
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: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -87.797617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.797617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.797617 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.118
local terms energy: -50.790312
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -5.253
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -103.611059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.611059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.611059 (E_RNA)
where:
Base-Base interactions energy: -40.046
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.044
local terms energy: -63.520987
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.478
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: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -70.563845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.563845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.563845 (E_RNA)
where:
Base-Base interactions energy: -28.106
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.229
local terms energy: -42.229166
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: 1.456
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: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -84.258619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258619 (E_RNA)
where:
Base-Base interactions energy: -26.949
where: short stacking energy: -26.092
Base-Backbone interact. energy: 0.106
local terms energy: -57.416468
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -4.734
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: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -209.177022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.177022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.177022 (E_RNA)
where:
Base-Base interactions energy: -133.478
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.077
local terms energy: -75.622547
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -204.584253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.584253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.584253 (E_RNA)
where:
Base-Base interactions energy: -139.410
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.003
local terms energy: -65.171356
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -210.076698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.076698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076698 (E_RNA)
where:
Base-Base interactions energy: -138.702
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.001
local terms energy: -71.373542
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -7.767
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -191.728925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728925 (E_RNA)
where:
Base-Base interactions energy: -134.019
where: short stacking energy: -58.804
Base-Backbone interact. energy: 1.498
local terms energy: -59.208397
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.083
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: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -200.684255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.684255 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -53.683
Base-Backbone interact. energy: -0.126
local terms energy: -59.791696
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -154.142027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.142027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.142027 (E_RNA)
where:
Base-Base interactions energy: -105.568
where: short stacking energy: -37.491
Base-Backbone interact. energy: -0.574
local terms energy: -47.999784
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -91.508135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508135 (E_RNA)
where:
Base-Base interactions energy: -29.728
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.109
local terms energy: -61.670995
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -94.247938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.247938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.247938 (E_RNA)
where:
Base-Base interactions energy: -51.632
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.240
local terms energy: -42.376671
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -83.500400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500400 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -30.406
Base-Backbone interact. energy: 1.923
local terms energy: -55.017629
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -78.759198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.759198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.759198 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.264
local terms energy: -35.216422
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -0.102
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: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -211.922666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.922666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.922666 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -58.435
Base-Backbone interact. energy: -0.004
local terms energy: -72.208679
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -208.344371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.344371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.344371 (E_RNA)
where:
Base-Base interactions energy: -131.722
where: short stacking energy: -67.499
Base-Backbone interact. energy: -0.004
local terms energy: -76.618421
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.714
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: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -202.393947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393947 (E_RNA)
where:
Base-Base interactions energy: -136.494
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.570
local terms energy: -65.330173
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -211.033605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.033605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.033605 (E_RNA)
where:
Base-Base interactions energy: -156.782
where: short stacking energy: -61.624
Base-Backbone interact. energy: 2.760
local terms energy: -57.011002
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -13.117
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: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -185.089241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.089241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.089241 (E_RNA)
where:
Base-Base interactions energy: -123.816
where: short stacking energy: -64.556
Base-Backbone interact. energy: 0.681
local terms energy: -61.954785
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -157.906329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.906329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.906329 (E_RNA)
where:
Base-Base interactions energy: -100.525
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.270
local terms energy: -57.111091
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.707
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: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -90.843540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.843540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.843540 (E_RNA)
where:
Base-Base interactions energy: -47.460
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.727
local terms energy: -42.656760
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -7.722
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -6.492
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: 327
Temperature: 1.250000
Total energy: -108.445121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.445121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.445121 (E_RNA)
where:
Base-Base interactions energy: -59.062
where: short stacking energy: -32.235
Base-Backbone interact. energy: -0.010
local terms energy: -49.372632
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -88.354420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.354420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.354420 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -37.787
Base-Backbone interact. energy: -0.192
local terms energy: -44.191994
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -86.613382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.613382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.613382 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -21.735
Base-Backbone interact. energy: 2.532
local terms energy: -48.052523
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -216.374595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374595 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.233
local terms energy: -74.510443
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -208.640128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.640128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.640128 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.083
local terms energy: -74.150664
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -215.147531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147531 (E_RNA)
where:
Base-Base interactions energy: -143.056
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.256
local terms energy: -71.835217
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.074
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: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -193.113355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.113355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.113355 (E_RNA)
where:
Base-Base interactions energy: -125.601
where: short stacking energy: -55.351
Base-Backbone interact. energy: -1.400
local terms energy: -66.112070
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -158.852321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.852321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.852321 (E_RNA)
where:
Base-Base interactions energy: -99.409
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.894
local terms energy: -58.549424
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.366
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: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -185.501027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.501027 (E_RNA)
where:
Base-Base interactions energy: -117.933
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.005
local terms energy: -67.562522
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -13.134
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: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -105.235119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.235119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.235119 (E_RNA)
where:
Base-Base interactions energy: -50.550
where: short stacking energy: -33.225
Base-Backbone interact. energy: -0.228
local terms energy: -54.456809
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -5.820
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -99.979362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.979362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.979362 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.185
local terms energy: -64.527947
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -91.655236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655236 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.069
local terms energy: -55.052968
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -93.244203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244203 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.491
local terms energy: -53.405610
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -221.413515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413515 (E_RNA)
where:
Base-Base interactions energy: -148.039
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.000
local terms energy: -73.374312
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -207.088099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.088099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.088099 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.000
local terms energy: -68.137528
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -216.006750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006750 (E_RNA)
where:
Base-Base interactions energy: -147.721
where: short stacking energy: -62.228
Base-Backbone interact. energy: -1.073
local terms energy: -67.212669
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.646
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: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -193.082279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.082279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.082279 (E_RNA)
where:
Base-Base interactions energy: -124.340
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.612
local terms energy: -68.129814
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -8.946
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -164.898336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.898336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.898336 (E_RNA)
where:
Base-Base interactions energy: -96.337
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.213
local terms energy: -68.348749
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -11.129
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -192.895594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.895594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.895594 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -68.725
Base-Backbone interact. energy: -0.011
local terms energy: -63.439540
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -5.584
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: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -100.614137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.614137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.614137 (E_RNA)
where:
Base-Base interactions energy: -51.690
where: short stacking energy: -31.229
Base-Backbone interact. energy: -0.118
local terms energy: -48.805642
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -87.152738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.152738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.152738 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.048
local terms energy: -51.360291
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -107.005294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.005294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.005294 (E_RNA)
where:
Base-Base interactions energy: -57.345
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.173
local terms energy: -49.486897
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -5.275
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -80.129641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129641 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.344
local terms energy: -42.634634
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -5.902
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -216.937632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.937632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.937632 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -73.130
Base-Backbone interact. energy: -0.002
local terms energy: -75.890705
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.272
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -212.610830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.610830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.610830 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -68.631
Base-Backbone interact. energy: 0.087
local terms energy: -71.394221
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -14.411
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: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -203.256334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.256334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.256334 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.362
local terms energy: -65.585044
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -199.482282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.482282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.482282 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.935
local terms energy: -58.730788
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -6.540
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: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -192.708019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708019 (E_RNA)
where:
Base-Base interactions energy: -127.147
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.117
local terms energy: -65.443905
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -178.357125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.357125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.357125 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.558
local terms energy: -65.696026
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.023
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: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -85.031309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031309 (E_RNA)
where:
Base-Base interactions energy: -50.448
where: short stacking energy: -20.311
Base-Backbone interact. energy: 0.384
local terms energy: -34.967574
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: 4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -85.332894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332894 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -32.145
Base-Backbone interact. energy: -0.035
local terms energy: -50.040915
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -83.042025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.042025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.042025 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.026
local terms energy: -58.067293
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.172
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -80.897232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897232 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -28.387
Base-Backbone interact. energy: 0.555
local terms energy: -53.065529
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -219.931274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.931274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.931274 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -74.745
Base-Backbone interact. energy: -0.036
local terms energy: -77.988698
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -201.925466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925466 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.009
local terms energy: -64.823637
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -212.840900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.840900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.840900 (E_RNA)
where:
Base-Base interactions energy: -140.398
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.098
local terms energy: -72.344794
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.021
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: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -197.073975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.073975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.073975 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -58.576
Base-Backbone interact. energy: 0.548
local terms energy: -67.864577
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.848
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -194.852101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852101 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -43.077
Base-Backbone interact. energy: 0.277
local terms energy: -55.496207
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -8.940
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -168.343277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.343277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.343277 (E_RNA)
where:
Base-Base interactions energy: -104.361
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.011
local terms energy: -63.970947
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -108.771712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.771712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.771712 (E_RNA)
where:
Base-Base interactions energy: -63.118
where: short stacking energy: -29.308
Base-Backbone interact. energy: -1.224
local terms energy: -44.430131
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -3.291
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: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -107.493142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.493142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.493142 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.783
local terms energy: -56.679158
where:
bonds (distance) C4'-P energy: -6.198
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.415
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: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -83.334426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.334426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.334426 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.124
local terms energy: -46.930436
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -2.901
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -82.142097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.142097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.142097 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.132
local terms energy: -47.923290
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: 2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -216.095567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.095567 (E_RNA)
where:
Base-Base interactions energy: -141.560
where: short stacking energy: -68.282
Base-Backbone interact. energy: -0.083
local terms energy: -74.452782
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -206.198472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.198472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.198472 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.038
local terms energy: -69.149040
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -204.317116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.317116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.317116 (E_RNA)
where:
Base-Base interactions energy: -141.678
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.100
local terms energy: -62.538872
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -193.922335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.922335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.922335 (E_RNA)
where:
Base-Base interactions energy: -128.128
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.098
local terms energy: -65.696042
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -16.025
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: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -177.673294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.673294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.673294 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.653
local terms energy: -63.359978
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -204.310543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.310543 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.553
local terms energy: -57.545489
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -88.072875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.072875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.072875 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -31.160
Base-Backbone interact. energy: 3.750
local terms energy: -54.727692
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -94.596223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.596223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.596223 (E_RNA)
where:
Base-Base interactions energy: -48.693
where: short stacking energy: -44.764
Base-Backbone interact. energy: 2.468
local terms energy: -48.370485
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -85.744715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744715 (E_RNA)
where:
Base-Base interactions energy: -40.282
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.128
local terms energy: -45.335689
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -1.549
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -86.162476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.162476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.162476 (E_RNA)
where:
Base-Base interactions energy: -45.542
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.707
local terms energy: -39.913885
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -4.050
tors. eta vs tors. theta energy: 2.187
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: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -219.515485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.515485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.515485 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.020
local terms energy: -67.259310
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -204.366319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.366319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.366319 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -67.870
Base-Backbone interact. energy: -0.021
local terms energy: -65.836992
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -204.044688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.044688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.044688 (E_RNA)
where:
Base-Base interactions energy: -136.784
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.211
local terms energy: -67.049590
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -185.084973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.084973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.084973 (E_RNA)
where:
Base-Base interactions energy: -116.982
where: short stacking energy: -60.724
Base-Backbone interact. energy: -0.726
local terms energy: -67.377018
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.049
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: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -173.722991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.722991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.722991 (E_RNA)
where:
Base-Base interactions energy: -112.044
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.089
local terms energy: -61.589167
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -12.254
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: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -174.240585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240585 (E_RNA)
where:
Base-Base interactions energy: -121.710
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.084
local terms energy: -52.446896
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -11.002
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: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -87.472851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472851 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -37.763
Base-Backbone interact. energy: -0.061
local terms energy: -45.031169
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -92.486064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.486064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.486064 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.030
local terms energy: -57.983253
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -6.494
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: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -83.519870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.519870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.519870 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.207
local terms energy: -52.319110
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -3.180
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: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -73.766235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.766235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.766235 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.104
local terms energy: -46.520186
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -4.020
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: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -215.482347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.482347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.482347 (E_RNA)
where:
Base-Base interactions energy: -150.569
where: short stacking energy: -59.218
Base-Backbone interact. energy: -0.733
local terms energy: -64.179609
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -212.910454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910454 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.009
local terms energy: -73.551922
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -15.994
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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -197.624249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.624249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.624249 (E_RNA)
where:
Base-Base interactions energy: -131.319
where: short stacking energy: -59.968
Base-Backbone interact. energy: -1.007
local terms energy: -65.297933
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -186.166402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166402 (E_RNA)
where:
Base-Base interactions energy: -119.663
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.016
local terms energy: -66.486608
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -10.252
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: 334
Temperature: 1.100000
Total energy: -173.039312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.039312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.039312 (E_RNA)
where:
Base-Base interactions energy: -111.128
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.807
local terms energy: -61.103680
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -8.566
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: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -140.411270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.411270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.411270 (E_RNA)
where:
Base-Base interactions energy: -78.434
where: short stacking energy: -44.393
Base-Backbone interact. energy: -0.182
local terms energy: -61.795394
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.347
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: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -89.361183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.361183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.361183 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -25.631
Base-Backbone interact. energy: -0.057
local terms energy: -55.137986
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -87.999824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999824 (E_RNA)
where:
Base-Base interactions energy: -41.114
where: short stacking energy: -41.114
Base-Backbone interact. energy: 0.058
local terms energy: -46.943994
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -0.800
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -103.048053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048053 (E_RNA)
where:
Base-Base interactions energy: -41.312
where: short stacking energy: -39.631
Base-Backbone interact. energy: -0.037
local terms energy: -61.698875
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.038870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038870 (E_RNA)
where:
Base-Base interactions energy: -35.066
where: short stacking energy: -35.529
Base-Backbone interact. energy: -0.055
local terms energy: -47.917355
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: -6.285
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -226.625836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.625836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625836 (E_RNA)
where:
Base-Base interactions energy: -150.862
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.064
local terms energy: -75.699971
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -190.690586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690586 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.000
local terms energy: -70.985541
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -11.426
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: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -210.407250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.407250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.407250 (E_RNA)
where:
Base-Base interactions energy: -137.188
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.001
local terms energy: -73.219042
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -205.309981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.309981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.309981 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.063
local terms energy: -67.009411
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -162.064587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.064587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.064587 (E_RNA)
where:
Base-Base interactions energy: -102.593
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.194
local terms energy: -59.277361
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -133.846089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.846089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.846089 (E_RNA)
where:
Base-Base interactions energy: -82.343
where: short stacking energy: -47.453
Base-Backbone interact. energy: -0.029
local terms energy: -51.474674
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -106.392809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.392809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.392809 (E_RNA)
where:
Base-Base interactions energy: -49.342
where: short stacking energy: -29.624
Base-Backbone interact. energy: -0.134
local terms energy: -56.916973
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -86.985169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.985169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.985169 (E_RNA)
where:
Base-Base interactions energy: -36.488
where: short stacking energy: -36.488
Base-Backbone interact. energy: 0.166
local terms energy: -50.663476
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -7.728
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -85.387024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387024 (E_RNA)
where:
Base-Base interactions energy: -26.457
where: short stacking energy: -24.816
Base-Backbone interact. energy: -0.046
local terms energy: -58.884458
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -3.134
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: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -141.513463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.513463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.513463 (E_RNA)
where:
Base-Base interactions energy: -90.516
where: short stacking energy: -45.342
Base-Backbone interact. energy: -0.069
local terms energy: -50.927748
where:
bonds (distance) C4'-P energy: -0.908
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -8.771
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: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -212.149870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.149870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.149870 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.098
local terms energy: -71.883658
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -200.903084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.903084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.903084 (E_RNA)
where:
Base-Base interactions energy: -125.694
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.109
local terms energy: -75.100748
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -211.469666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.469666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.469666 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.020
local terms energy: -73.358975
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -16.056
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: 336
Temperature: 1.050000
Total energy: -186.047679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.047679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.047679 (E_RNA)
where:
Base-Base interactions energy: -122.796
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.131
local terms energy: -63.120572
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.282
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: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -152.862439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.862439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.862439 (E_RNA)
where:
Base-Base interactions energy: -82.783
where: short stacking energy: -59.346
Base-Backbone interact. energy: -1.055
local terms energy: -69.023806
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -15.088
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: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -182.318733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.318733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.318733 (E_RNA)
where:
Base-Base interactions energy: -120.123
where: short stacking energy: -54.053
Base-Backbone interact. energy: 1.207
local terms energy: -63.402783
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -90.360058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.360058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.360058 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -32.538
Base-Backbone interact. energy: -0.081
local terms energy: -57.740429
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -98.969481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969481 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -41.143
Base-Backbone interact. energy: -0.212
local terms energy: -56.466979
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -129.426363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.426363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.426363 (E_RNA)
where:
Base-Base interactions energy: -81.397
where: short stacking energy: -35.601
Base-Backbone interact. energy: -0.288
local terms energy: -47.741012
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -80.995295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.995295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.995295 (E_RNA)
where:
Base-Base interactions energy: -28.606
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.136
local terms energy: -52.253619
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -227.435969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.435969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.435969 (E_RNA)
where:
Base-Base interactions energy: -151.253
where: short stacking energy: -68.416
Base-Backbone interact. energy: -0.098
local terms energy: -76.084905
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -202.909055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909055 (E_RNA)
where:
Base-Base interactions energy: -135.336
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.236
local terms energy: -67.336343
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -16.293
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: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -203.787510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.787510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.787510 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -69.597
Base-Backbone interact. energy: 0.080
local terms energy: -73.377068
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -152.319245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.319245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.319245 (E_RNA)
where:
Base-Base interactions energy: -90.549
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.191
local terms energy: -61.578660
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -188.824330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.824330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.824330 (E_RNA)
where:
Base-Base interactions energy: -115.646
where: short stacking energy: -57.369
Base-Backbone interact. energy: 1.184
local terms energy: -74.362613
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.155
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -183.139447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.139447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.139447 (E_RNA)
where:
Base-Base interactions energy: -114.276
where: short stacking energy: -52.406
Base-Backbone interact. energy: 0.277
local terms energy: -69.140104
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -92.361381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361381 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.133
local terms energy: -57.034180
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -5.149
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: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -88.571681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.571681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.571681 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.093
local terms energy: -52.662894
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.553047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.553047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.553047 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.164
local terms energy: -44.981280
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -3.635
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: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -75.522508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.522508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.522508 (E_RNA)
where:
Base-Base interactions energy: -20.801
where: short stacking energy: -19.923
Base-Backbone interact. energy: 0.259
local terms energy: -54.980819
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -218.129784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.129784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129784 (E_RNA)
where:
Base-Base interactions energy: -149.571
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.354
local terms energy: -68.205410
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.129
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: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -214.804882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.804882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.804882 (E_RNA)
where:
Base-Base interactions energy: -147.570
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.195
local terms energy: -67.038981
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -205.798385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.798385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.798385 (E_RNA)
where:
Base-Base interactions energy: -132.240
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.122
local terms energy: -73.436346
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -20.150
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: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -158.676968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676968 (E_RNA)
where:
Base-Base interactions energy: -93.039
where: short stacking energy: -47.322
Base-Backbone interact. energy: -0.110
local terms energy: -65.527881
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -193.435558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.435558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.435558 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -64.567
Base-Backbone interact. energy: -1.331
local terms energy: -63.577377
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -186.553484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.553484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.553484 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.011
local terms energy: -63.935653
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.748
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: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -122.862064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.862064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.862064 (E_RNA)
where:
Base-Base interactions energy: -74.600
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.614
local terms energy: -47.648689
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -76.957658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.957658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.957658 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.084
local terms energy: -46.568359
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -85.904655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904655 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.061
local terms energy: -51.012329
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -75.201533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.201533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.201533 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -33.464
Base-Backbone interact. energy: 2.362
local terms energy: -38.477014
where:
bonds (distance) C4'-P energy: -2.937
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -215.571787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.571787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.571787 (E_RNA)
where:
Base-Base interactions energy: -144.607
where: short stacking energy: -60.183
Base-Backbone interact. energy: -1.286
local terms energy: -69.679497
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -212.586263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.586263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.586263 (E_RNA)
where:
Base-Base interactions energy: -144.847
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.103
local terms energy: -67.635815
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -209.577389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.577389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.577389 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.017
local terms energy: -68.878161
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -198.090919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.090919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.090919 (E_RNA)
where:
Base-Base interactions energy: -128.874
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.011
local terms energy: -69.205921
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -18.406
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -160.837530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.837530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.837530 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -48.420
Base-Backbone interact. energy: 0.104
local terms energy: -64.219145
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -191.165119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.165119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.165119 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -57.277
Base-Backbone interact. energy: 2.206
local terms energy: -59.686762
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.051
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -126.723383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.723383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.723383 (E_RNA)
where:
Base-Base interactions energy: -78.078
where: short stacking energy: -46.165
Base-Backbone interact. energy: 1.572
local terms energy: -50.217034
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -4.478
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: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -78.601873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601873 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -34.475
Base-Backbone interact. energy: 0.048
local terms energy: -41.583948
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -0.403
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: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -135.156435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.156435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.156435 (E_RNA)
where:
Base-Base interactions energy: -83.300
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.552
local terms energy: -51.303979
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -4.201
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: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -74.238957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.238957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.238957 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -18.880
Base-Backbone interact. energy: -0.521
local terms energy: -47.348298
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -5.191
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: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -218.820219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820219 (E_RNA)
where:
Base-Base interactions energy: -146.568
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.020
local terms energy: -72.231919
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -217.291553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.291553 (E_RNA)
where:
Base-Base interactions energy: -143.608
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.080
local terms energy: -73.602691
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -209.107251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107251 (E_RNA)
where:
Base-Base interactions energy: -144.506
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.053
local terms energy: -64.548205
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -193.989942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989942 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -51.593
Base-Backbone interact. energy: -0.647
local terms energy: -69.470149
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -15.586
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: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -181.468304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.468304 (E_RNA)
where:
Base-Base interactions energy: -118.318
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.142
local terms energy: -63.008706
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -10.798
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: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -162.684047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.684047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.684047 (E_RNA)
where:
Base-Base interactions energy: -99.865
where: short stacking energy: -56.686
Base-Backbone interact. energy: 1.538
local terms energy: -64.357312
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -145.123065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.123065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.123065 (E_RNA)
where:
Base-Base interactions energy: -86.157
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.088
local terms energy: -58.878714
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -103.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.243881 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -37.657
Base-Backbone interact. energy: -0.487
local terms energy: -64.675091
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -143.199072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.199072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.199072 (E_RNA)
where:
Base-Base interactions energy: -81.614
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.027
local terms energy: -61.558570
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -11.309
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: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -73.809010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.809010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.809010 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -26.210
Base-Backbone interact. energy: 0.844
local terms energy: -48.443449
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -2.575
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -218.750468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.750468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.750468 (E_RNA)
where:
Base-Base interactions energy: -147.430
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.120
local terms energy: -71.201065
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.662
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: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -228.182808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.182808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.182808 (E_RNA)
where:
Base-Base interactions energy: -153.821
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.214
local terms energy: -74.148032
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -198.912212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.912212 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.100
local terms energy: -68.478223
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -9.008
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -17.198
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: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -204.365455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.365455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.365455 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.002
local terms energy: -64.313795
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -5.514
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: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -184.354660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.354660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.354660 (E_RNA)
where:
Base-Base interactions energy: -118.233
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.016
local terms energy: -66.106035
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -170.791925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.791925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.791925 (E_RNA)
where:
Base-Base interactions energy: -108.295
where: short stacking energy: -56.844
Base-Backbone interact. energy: 0.195
local terms energy: -62.692290
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -139.037547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.037547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.037547 (E_RNA)
where:
Base-Base interactions energy: -83.663
where: short stacking energy: -39.189
Base-Backbone interact. energy: 0.355
local terms energy: -55.730070
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -133.196751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.196751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.196751 (E_RNA)
where:
Base-Base interactions energy: -79.973
where: short stacking energy: -43.872
Base-Backbone interact. energy: -0.068
local terms energy: -53.154898
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -79.165301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.165301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.165301 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -36.018
Base-Backbone interact. energy: 0.750
local terms energy: -43.897115
where:
bonds (distance) C4'-P energy: -6.002
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -77.747396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.747396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.747396 (E_RNA)
where:
Base-Base interactions energy: -28.781
where: short stacking energy: -24.182
Base-Backbone interact. energy: 0.514
local terms energy: -49.480587
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -208.570937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.570937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.570937 (E_RNA)
where:
Base-Base interactions energy: -142.036
where: short stacking energy: -68.437
Base-Backbone interact. energy: -0.003
local terms energy: -66.531374
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -237.818234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.818234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.818234 (E_RNA)
where:
Base-Base interactions energy: -167.450
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.357
local terms energy: -70.011313
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -196.565902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.565902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.565902 (E_RNA)
where:
Base-Base interactions energy: -125.008
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.054
local terms energy: -71.504342
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -17.022
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: 342
Temperature: 1.050000
Total energy: -189.231317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.231317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.231317 (E_RNA)
where:
Base-Base interactions energy: -128.049
where: short stacking energy: -61.682
Base-Backbone interact. energy: 0.352
local terms energy: -61.533488
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -167.060707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.060707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.060707 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.048
local terms energy: -64.614794
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -13.279
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -180.833410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.833410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.833410 (E_RNA)
where:
Base-Base interactions energy: -119.990
where: short stacking energy: -53.855
Base-Backbone interact. energy: -0.041
local terms energy: -60.801907
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -131.661182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.661182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.661182 (E_RNA)
where:
Base-Base interactions energy: -80.945
where: short stacking energy: -38.217
Base-Backbone interact. energy: 1.172
local terms energy: -51.888043
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -134.263420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.263420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.263420 (E_RNA)
where:
Base-Base interactions energy: -86.305
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.474
local terms energy: -47.484913
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -80.574046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574046 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.553
local terms energy: -53.066857
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -80.414233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.414233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.414233 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.060
local terms energy: -51.854436
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -210.922320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922320 (E_RNA)
where:
Base-Base interactions energy: -143.382
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.037
local terms energy: -67.502512
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -236.045288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.045288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.045288 (E_RNA)
where:
Base-Base interactions energy: -169.105
where: short stacking energy: -63.702
Base-Backbone interact. energy: 0.380
local terms energy: -67.320993
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -200.027786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.027786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.027786 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.006
local terms energy: -75.577010
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -199.574023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.574023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.574023 (E_RNA)
where:
Base-Base interactions energy: -133.948
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.002
local terms energy: -65.624226
where:
bonds (distance) C4'-P energy: -6.695
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -14.162
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: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -161.744923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.744923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.744923 (E_RNA)
where:
Base-Base interactions energy: -100.435
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.185
local terms energy: -61.124456
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -188.530523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.530523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.530523 (E_RNA)
where:
Base-Base interactions energy: -119.403
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.004
local terms energy: -69.123340
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -131.425805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.425805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.425805 (E_RNA)
where:
Base-Base interactions energy: -76.835
where: short stacking energy: -42.280
Base-Backbone interact. energy: -0.458
local terms energy: -54.132607
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -133.296814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.296814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.296814 (E_RNA)
where:
Base-Base interactions energy: -84.970
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.380
local terms energy: -47.946622
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -8.329
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: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.474079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.474079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.474079 (E_RNA)
where:
Base-Base interactions energy: -40.765
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.025
local terms energy: -50.683727
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -72.526255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.526255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.526255 (E_RNA)
where:
Base-Base interactions energy: -21.024
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.123
local terms energy: -51.379405
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: 0.055
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: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -239.053701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.053701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.053701 (E_RNA)
where:
Base-Base interactions energy: -165.601
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.478
local terms energy: -72.974592
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -204.962620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.962620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.962620 (E_RNA)
where:
Base-Base interactions energy: -141.695
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.002
local terms energy: -63.265724
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -199.115396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.115396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.115396 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.111
local terms energy: -70.658187
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -191.998699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.998699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.998699 (E_RNA)
where:
Base-Base interactions energy: -121.489
where: short stacking energy: -53.458
Base-Backbone interact. energy: -0.785
local terms energy: -69.723980
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -196.251468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.251468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.251468 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.562
local terms energy: -65.050521
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -172.584555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584555 (E_RNA)
where:
Base-Base interactions energy: -108.538
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.015
local terms energy: -64.031301
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -140.682199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.682199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.682199 (E_RNA)
where:
Base-Base interactions energy: -92.094
where: short stacking energy: -46.873
Base-Backbone interact. energy: -0.775
local terms energy: -47.813639
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -144.862988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.862988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.862988 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.070
local terms energy: -54.036897
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -95.821728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821728 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.112
local terms energy: -52.165421
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -3.965
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: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -76.200763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.200763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.200763 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.251
local terms energy: -47.310774
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -238.291784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.291784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.291784 (E_RNA)
where:
Base-Base interactions energy: -172.001
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.370
local terms energy: -65.921098
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -202.368723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.368723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.368723 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.006
local terms energy: -67.560654
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -14.103
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: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -204.452811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452811 (E_RNA)
where:
Base-Base interactions energy: -129.678
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.526
local terms energy: -74.249150
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -195.773352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773352 (E_RNA)
where:
Base-Base interactions energy: -132.585
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.003
local terms energy: -63.185706
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -188.027288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027288 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -54.584
Base-Backbone interact. energy: -0.127
local terms energy: -59.166673
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -12.235
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: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -158.204588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.204588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.204588 (E_RNA)
where:
Base-Base interactions energy: -93.107
where: short stacking energy: -50.283
Base-Backbone interact. energy: -0.814
local terms energy: -64.283450
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -11.735
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: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -140.051705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.051705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.051705 (E_RNA)
where:
Base-Base interactions energy: -85.677
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.117
local terms energy: -54.257392
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -6.277
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -143.014277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.014277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.014277 (E_RNA)
where:
Base-Base interactions energy: -85.529
where: short stacking energy: -47.260
Base-Backbone interact. energy: 0.416
local terms energy: -57.901592
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -106.366791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.366791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.366791 (E_RNA)
where:
Base-Base interactions energy: -50.804
where: short stacking energy: -31.362
Base-Backbone interact. energy: -0.195
local terms energy: -55.368575
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -7.462
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: 345
Temperature: 1.350000
Total energy: -83.531303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.531303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.531303 (E_RNA)
where:
Base-Base interactions energy: -41.016
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.044
local terms energy: -42.470797
where:
bonds (distance) C4'-P energy: -4.994
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -4.620
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -241.248711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248711 (E_RNA)
where:
Base-Base interactions energy: -169.114
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.416
local terms energy: -71.718709
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -210.318072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.318072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.318072 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.006
local terms energy: -73.979898
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -204.508526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.508526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.508526 (E_RNA)
where:
Base-Base interactions energy: -129.217
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.511
local terms energy: -74.780972
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -204.310488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.310488 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -56.963
Base-Backbone interact. energy: -0.124
local terms energy: -75.423308
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -180.224716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224716 (E_RNA)
where:
Base-Base interactions energy: -113.322
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.643
local terms energy: -66.260098
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.554
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: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -154.296896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.296896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.296896 (E_RNA)
where:
Base-Base interactions energy: -95.756
where: short stacking energy: -47.740
Base-Backbone interact. energy: 1.135
local terms energy: -59.675311
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -153.928792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.928792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.928792 (E_RNA)
where:
Base-Base interactions energy: -91.944
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.726
local terms energy: -61.258406
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -11.848
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -128.345479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.345479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.345479 (E_RNA)
where:
Base-Base interactions energy: -71.808
where: short stacking energy: -40.373
Base-Backbone interact. energy: -1.408
local terms energy: -55.130104
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.025
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: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -84.047139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047139 (E_RNA)
where:
Base-Base interactions energy: -37.986
where: short stacking energy: -27.828
Base-Backbone interact. energy: -0.033
local terms energy: -46.028159
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -91.967756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.967756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.967756 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -32.619
Base-Backbone interact. energy: -0.718
local terms energy: -56.570552
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -235.790392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.790392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.790392 (E_RNA)
where:
Base-Base interactions energy: -169.241
where: short stacking energy: -62.238
Base-Backbone interact. energy: 2.888
local terms energy: -69.438247
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -212.284012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.284012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284012 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.002
local terms energy: -71.841393
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -214.012920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.012920 (E_RNA)
where:
Base-Base interactions energy: -147.348
where: short stacking energy: -69.685
Base-Backbone interact. energy: -0.001
local terms energy: -66.663444
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.265
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: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -203.038872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.038872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.038872 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.036
local terms energy: -69.164444
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -18.813
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: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -203.901388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.901388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.901388 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.029
local terms energy: -72.315897
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -162.834928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.834928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.834928 (E_RNA)
where:
Base-Base interactions energy: -93.217
where: short stacking energy: -46.180
Base-Backbone interact. energy: -0.580
local terms energy: -69.037448
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.633
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: 347
Temperature: 1.200000
Total energy: -138.124219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.124219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.124219 (E_RNA)
where:
Base-Base interactions energy: -83.383
where: short stacking energy: -39.333
Base-Backbone interact. energy: -0.293
local terms energy: -54.448091
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -9.469
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -126.655336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.655336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.655336 (E_RNA)
where:
Base-Base interactions energy: -76.191
where: short stacking energy: -41.703
Base-Backbone interact. energy: -0.552
local terms energy: -49.912460
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -91.797579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.797579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.797579 (E_RNA)
where:
Base-Base interactions energy: -40.180
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.098
local terms energy: -51.520051
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -5.738
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -87.096968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096968 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -36.008
Base-Backbone interact. energy: -0.019
local terms energy: -50.986028
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -236.529468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.529468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.529468 (E_RNA)
where:
Base-Base interactions energy: -166.018
where: short stacking energy: -64.411
Base-Backbone interact. energy: 0.017
local terms energy: -70.527714
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.947
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: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -209.676504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.676504 (E_RNA)
where:
Base-Base interactions energy: -136.148
where: short stacking energy: -70.310
Base-Backbone interact. energy: -0.007
local terms energy: -73.521180
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -204.323803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.323803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.323803 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.074
local terms energy: -69.173318
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -15.402
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: 348
Temperature: 1.050000
Total energy: -204.670397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.670397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.670397 (E_RNA)
where:
Base-Base interactions energy: -139.301
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.001
local terms energy: -65.368300
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.128
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: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -194.501279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.501279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.501279 (E_RNA)
where:
Base-Base interactions energy: -135.086
where: short stacking energy: -55.820
Base-Backbone interact. energy: 0.277
local terms energy: -59.692303
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -13.638
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: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -161.596750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.596750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.596750 (E_RNA)
where:
Base-Base interactions energy: -103.977
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.419
local terms energy: -57.201018
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -9.231
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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -129.108807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.108807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.108807 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.171
local terms energy: -53.581910
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -120.134701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.134701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.134701 (E_RNA)
where:
Base-Base interactions energy: -72.540
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.051
local terms energy: -47.544300
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -83.487549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.487549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.487549 (E_RNA)
where:
Base-Base interactions energy: -32.179
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.002
local terms energy: -51.306116
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -78.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.187169 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -27.258
Base-Backbone interact. energy: 3.019
local terms energy: -43.945759
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -237.383923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.383923 (E_RNA)
where:
Base-Base interactions energy: -162.174
where: short stacking energy: -63.325
Base-Backbone interact. energy: 0.069
local terms energy: -75.278843
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -16.632
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: 349
Temperature: 0.950000
Total energy: -208.992917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.992917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.992917 (E_RNA)
where:
Base-Base interactions energy: -133.545
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.033
local terms energy: -75.415453
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -219.837960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.837960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.837960 (E_RNA)
where:
Base-Base interactions energy: -150.272
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.099
local terms energy: -69.466906
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -221.545311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.545311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.545311 (E_RNA)
where:
Base-Base interactions energy: -154.075
where: short stacking energy: -69.263
Base-Backbone interact. energy: 0.599
local terms energy: -68.069293
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -207.523930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.523930 (E_RNA)
where:
Base-Base interactions energy: -138.840
where: short stacking energy: -74.952
Base-Backbone interact. energy: -0.011
local terms energy: -68.673232
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.199
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -130.741611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.741611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.741611 (E_RNA)
where:
Base-Base interactions energy: -73.391
where: short stacking energy: -40.707
Base-Backbone interact. energy: 1.078
local terms energy: -58.428216
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -165.134887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.134887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.134887 (E_RNA)
where:
Base-Base interactions energy: -106.207
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.495
local terms energy: -58.433169
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -9.913
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: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -103.199745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199745 (E_RNA)
where:
Base-Base interactions energy: -64.399
where: short stacking energy: -25.334
Base-Backbone interact. energy: -0.345
local terms energy: -38.455146
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: 1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -78.062639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.062639 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -20.857
Base-Backbone interact. energy: -0.913
local terms energy: -47.626861
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -67.925233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.925233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.925233 (E_RNA)
where:
Base-Base interactions energy: -21.273
where: short stacking energy: -21.273
Base-Backbone interact. energy: -0.462
local terms energy: -46.190959
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: 7.006
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: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -240.716522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.716522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.716522 (E_RNA)
where:
Base-Base interactions energy: -176.739
where: short stacking energy: -71.953
Base-Backbone interact. energy: -0.185
local terms energy: -63.792077
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.613
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: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -203.804941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804941 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.146
local terms energy: -66.580053
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -217.417266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.417266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.417266 (E_RNA)
where:
Base-Base interactions energy: -151.669
where: short stacking energy: -59.644
Base-Backbone interact. energy: -1.581
local terms energy: -64.167791
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -202.776699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.776699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.776699 (E_RNA)
where:
Base-Base interactions energy: -131.025
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.463
local terms energy: -71.288271
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -202.344906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344906 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.002
local terms energy: -59.332837
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -132.319323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.319323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.319323 (E_RNA)
where:
Base-Base interactions energy: -76.943
where: short stacking energy: -43.690
Base-Backbone interact. energy: -0.353
local terms energy: -55.023268
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -152.920694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.920694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.920694 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.343
local terms energy: -54.440050
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -127.917336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.917336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.917336 (E_RNA)
where:
Base-Base interactions energy: -82.423
where: short stacking energy: -30.330
Base-Backbone interact. energy: -0.648
local terms energy: -44.846972
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -5.130
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -73.029287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.029287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.029287 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -22.935
Base-Backbone interact. energy: -0.754
local terms energy: -49.071951
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -88.150302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150302 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -34.913
Base-Backbone interact. energy: -0.054
local terms energy: -53.183567
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -234.995173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.995173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.995173 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -66.870
Base-Backbone interact. energy: 0.007
local terms energy: -64.029431
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.752
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: 351
Temperature: 0.950000
Total energy: -205.312738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.312738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.312738 (E_RNA)
where:
Base-Base interactions energy: -135.487
where: short stacking energy: -64.240
Base-Backbone interact. energy: 1.384
local terms energy: -71.210330
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -200.608650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.608650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.608650 (E_RNA)
where:
Base-Base interactions energy: -127.791
where: short stacking energy: -65.209
Base-Backbone interact. energy: -0.152
local terms energy: -72.666149
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.566
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: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -199.829462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.829462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.829462 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.042
local terms energy: -61.740263
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -194.362549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362549 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.209
local terms energy: -60.070255
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -153.610994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.610994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.610994 (E_RNA)
where:
Base-Base interactions energy: -96.158
where: short stacking energy: -48.629
Base-Backbone interact. energy: -0.691
local terms energy: -56.761458
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -6.339
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: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -117.437092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.437092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.437092 (E_RNA)
where:
Base-Base interactions energy: -73.884
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.861
local terms energy: -42.691442
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: 3.193
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -93.692776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.692776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.692776 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -34.565
Base-Backbone interact. energy: -0.039
local terms energy: -56.229864
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -134.276734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.276734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.276734 (E_RNA)
where:
Base-Base interactions energy: -78.805
where: short stacking energy: -31.403
Base-Backbone interact. energy: -1.365
local terms energy: -54.107019
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -3.146
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -78.909355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.909355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.909355 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.230
local terms energy: -48.292214
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.940
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: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -236.305722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.305722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.305722 (E_RNA)
where:
Base-Base interactions energy: -167.652
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.751
local terms energy: -67.902345
where:
bonds (distance) C4'-P energy: -6.860
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -220.247473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.247473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.247473 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.091
local terms energy: -76.128022
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -198.151083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.151083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151083 (E_RNA)
where:
Base-Base interactions energy: -130.004
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.001
local terms energy: -68.146569
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -205.454342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.454342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.454342 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.692
local terms energy: -74.622398
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -196.390428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.390428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.390428 (E_RNA)
where:
Base-Base interactions energy: -133.044
where: short stacking energy: -55.974
Base-Backbone interact. energy: 1.226
local terms energy: -64.571995
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.260
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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -159.312577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.312577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.312577 (E_RNA)
where:
Base-Base interactions energy: -98.395
where: short stacking energy: -53.468
Base-Backbone interact. energy: -0.249
local terms energy: -60.668479
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -88.459538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459538 (E_RNA)
where:
Base-Base interactions energy: -32.132
where: short stacking energy: -32.132
Base-Backbone interact. energy: 0.080
local terms energy: -56.407436
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -4.440
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: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -92.640091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.640091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.640091 (E_RNA)
where:
Base-Base interactions energy: -48.779
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.359
local terms energy: -43.501872
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -5.276
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: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -84.953024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.953024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.953024 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.007
local terms energy: -53.150696
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.582
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: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -110.315586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.315586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.315586 (E_RNA)
where:
Base-Base interactions energy: -62.991
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.573
local terms energy: -46.751936
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 1.942
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: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -235.844033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.844033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844033 (E_RNA)
where:
Base-Base interactions energy: -169.873
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.301
local terms energy: -65.670289
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.525
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: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -213.463565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463565 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -64.668
Base-Backbone interact. energy: -0.071
local terms energy: -69.296056
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -207.808110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.808110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.808110 (E_RNA)
where:
Base-Base interactions energy: -143.504
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.017
local terms energy: -64.287225
where:
bonds (distance) C4'-P energy: -6.415
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -211.165837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.165837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.165837 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -71.165
Base-Backbone interact. energy: 0.231
local terms energy: -72.484594
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.988
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -192.648838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.648838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.648838 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -59.137
Base-Backbone interact. energy: 0.412
local terms energy: -66.469469
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -148.653870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.653870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.653870 (E_RNA)
where:
Base-Base interactions energy: -90.475
where: short stacking energy: -42.824
Base-Backbone interact. energy: -0.200
local terms energy: -57.979785
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -107.828287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.828287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.828287 (E_RNA)
where:
Base-Base interactions energy: -56.567
where: short stacking energy: -39.273
Base-Backbone interact. energy: -0.093
local terms energy: -51.168299
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.131894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.131894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.131894 (E_RNA)
where:
Base-Base interactions energy: -51.528
where: short stacking energy: -24.315
Base-Backbone interact. energy: -0.479
local terms energy: -40.125052
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 4.348
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: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -82.559260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.559260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.559260 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.190
local terms energy: -51.638454
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -9.410
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: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -85.821684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821684 (E_RNA)
where:
Base-Base interactions energy: -32.847
where: short stacking energy: -28.456
Base-Backbone interact. energy: 0.275
local terms energy: -53.250092
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -11.084
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: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -237.853383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.853383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.853383 (E_RNA)
where:
Base-Base interactions energy: -167.040
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.700
local terms energy: -70.113506
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -201.867538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.867538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.867538 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -68.252
Base-Backbone interact. energy: 0.431
local terms energy: -79.929800
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -201.120501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120501 (E_RNA)
where:
Base-Base interactions energy: -133.896
where: short stacking energy: -61.283
Base-Backbone interact. energy: -0.533
local terms energy: -66.691709
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -212.321529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321529 (E_RNA)
where:
Base-Base interactions energy: -142.420
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.048
local terms energy: -69.853581
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -202.444426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.444426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.444426 (E_RNA)
where:
Base-Base interactions energy: -137.648
where: short stacking energy: -57.751
Base-Backbone interact. energy: 0.120
local terms energy: -64.916212
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -6.998
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -159.489576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.489576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.489576 (E_RNA)
where:
Base-Base interactions energy: -102.275
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.033
local terms energy: -57.181863
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -132.130327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.130327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.130327 (E_RNA)
where:
Base-Base interactions energy: -80.690
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.725
local terms energy: -50.714988
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -102.626970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.626970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.626970 (E_RNA)
where:
Base-Base interactions energy: -49.325
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.095
local terms energy: -53.207034
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -4.264
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: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -81.527535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527535 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -30.908
Base-Backbone interact. energy: -1.143
local terms energy: -49.477122
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -2.031
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: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -65.293590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.293590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.293590 (E_RNA)
where:
Base-Base interactions energy: -20.540
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.134
local terms energy: -44.619793
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -238.766065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.766065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.766065 (E_RNA)
where:
Base-Base interactions energy: -166.809
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.237
local terms energy: -71.719420
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -203.088903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.088903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.088903 (E_RNA)
where:
Base-Base interactions energy: -136.008
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.005
local terms energy: -67.076298
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.324
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: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -201.674525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.674525 (E_RNA)
where:
Base-Base interactions energy: -124.107
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.014
local terms energy: -77.553672
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -200.461115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.461115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.461115 (E_RNA)
where:
Base-Base interactions energy: -136.552
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.011
local terms energy: -63.898141
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -14.367
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -195.579062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.579062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.579062 (E_RNA)
where:
Base-Base interactions energy: -123.817
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.027
local terms energy: -71.734908
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -153.918509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.918509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.918509 (E_RNA)
where:
Base-Base interactions energy: -78.335
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.395
local terms energy: -75.188048
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -13.847
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -157.413250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.413250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.413250 (E_RNA)
where:
Base-Base interactions energy: -96.157
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.121
local terms energy: -61.135290
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -81.246452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246452 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -27.741
Base-Backbone interact. energy: 1.105
local terms energy: -54.610725
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -87.123618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.123618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.123618 (E_RNA)
where:
Base-Base interactions energy: -38.675
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.212
local terms energy: -48.236413
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -82.460131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460131 (E_RNA)
where:
Base-Base interactions energy: -31.691
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.263
local terms energy: -50.505852
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -239.955313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.955313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.955313 (E_RNA)
where:
Base-Base interactions energy: -167.048
where: short stacking energy: -64.878
Base-Backbone interact. energy: -0.369
local terms energy: -72.538406
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -15.597
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: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -207.635440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.635440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.635440 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.006
local terms energy: -71.445863
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -199.067881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.067881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.067881 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.002
local terms energy: -69.213592
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -9.824
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -195.491741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.491741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.491741 (E_RNA)
where:
Base-Base interactions energy: -128.713
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.006
local terms energy: -66.772384
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -165.925934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.925934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.925934 (E_RNA)
where:
Base-Base interactions energy: -107.070
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.123
local terms energy: -58.732950
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -9.989
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: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -185.268552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.268552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.268552 (E_RNA)
where:
Base-Base interactions energy: -127.170
where: short stacking energy: -53.569
Base-Backbone interact. energy: -0.004
local terms energy: -58.094419
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -152.515519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.515519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.515519 (E_RNA)
where:
Base-Base interactions energy: -93.867
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.018
local terms energy: -58.630960
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -81.109484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.109484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.109484 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -30.621
Base-Backbone interact. energy: 0.146
local terms energy: -47.936072
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -103.656836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.656836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.656836 (E_RNA)
where:
Base-Base interactions energy: -57.347
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.043
local terms energy: -46.267359
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -77.991310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991310 (E_RNA)
where:
Base-Base interactions energy: -25.329
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.339
local terms energy: -52.323475
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -3.373
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -242.498443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.498443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.498443 (E_RNA)
where:
Base-Base interactions energy: -170.316
where: short stacking energy: -70.064
Base-Backbone interact. energy: -1.298
local terms energy: -70.884517
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -205.724722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.724722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724722 (E_RNA)
where:
Base-Base interactions energy: -134.848
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.013
local terms energy: -70.863960
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -203.727564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727564 (E_RNA)
where:
Base-Base interactions energy: -136.691
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.193
local terms energy: -66.843219
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.303
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: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -157.200497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.200497 (E_RNA)
where:
Base-Base interactions energy: -93.821
where: short stacking energy: -45.685
Base-Backbone interact. energy: -0.390
local terms energy: -62.988920
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -9.460
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: 357
Temperature: 1.100000
Total energy: -197.055370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.055370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.055370 (E_RNA)
where:
Base-Base interactions energy: -121.691
where: short stacking energy: -51.390
Base-Backbone interact. energy: 1.737
local terms energy: -77.101166
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.724
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: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -130.450136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.450136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.450136 (E_RNA)
where:
Base-Base interactions energy: -78.065
where: short stacking energy: -36.833
Base-Backbone interact. energy: -0.171
local terms energy: -52.214243
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -166.333126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.333126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.333126 (E_RNA)
where:
Base-Base interactions energy: -108.304
where: short stacking energy: -48.920
Base-Backbone interact. energy: 0.003
local terms energy: -58.031681
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -118.778451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.778451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.778451 (E_RNA)
where:
Base-Base interactions energy: -71.971
where: short stacking energy: -26.287
Base-Backbone interact. energy: -0.236
local terms energy: -46.571549
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -95.035161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.035161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.035161 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.071
local terms energy: -50.454606
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -78.087968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.087968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.087968 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.122
local terms energy: -47.096493
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -2.471
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -245.114983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.114983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.114983 (E_RNA)
where:
Base-Base interactions energy: -171.136
where: short stacking energy: -70.124
Base-Backbone interact. energy: 1.173
local terms energy: -75.151333
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.741
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: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -215.350653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.350653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.350653 (E_RNA)
where:
Base-Base interactions energy: -142.769
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.128
local terms energy: -72.453445
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -17.918
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: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -193.151524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.151524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.151524 (E_RNA)
where:
Base-Base interactions energy: -126.147
where: short stacking energy: -63.638
Base-Backbone interact. energy: -0.101
local terms energy: -66.903758
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.259
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -184.650303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.650303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.650303 (E_RNA)
where:
Base-Base interactions energy: -112.235
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.074
local terms energy: -72.341153
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -191.124605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.124605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.124605 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -54.466
Base-Backbone interact. energy: 0.283
local terms energy: -67.716147
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -100.645653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645653 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.021
local terms energy: -55.363521
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -7.280
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: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -188.416631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.416631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.416631 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.033
local terms energy: -64.251321
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.270
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -134.012976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.012976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.012976 (E_RNA)
where:
Base-Base interactions energy: -87.370
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.000
local terms energy: -46.642886
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -90.224187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.224187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.224187 (E_RNA)
where:
Base-Base interactions energy: -42.922
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.174
local terms energy: -47.128027
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -68.527122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.527122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.527122 (E_RNA)
where:
Base-Base interactions energy: -20.168
where: short stacking energy: -16.480
Base-Backbone interact. energy: 0.758
local terms energy: -49.117599
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.446
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: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -237.461503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.461503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.461503 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.065
local terms energy: -72.864640
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -210.843616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843616 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.109
local terms energy: -63.235724
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -197.810033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.810033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.810033 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -53.022
Base-Backbone interact. energy: 0.442
local terms energy: -64.066589
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.536
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: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -195.470046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.470046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.470046 (E_RNA)
where:
Base-Base interactions energy: -131.853
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.359
local terms energy: -63.257190
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.099
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: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -168.702833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.702833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.702833 (E_RNA)
where:
Base-Base interactions energy: -106.518
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.194
local terms energy: -61.990058
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -184.529344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.529344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.529344 (E_RNA)
where:
Base-Base interactions energy: -117.347
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.014
local terms energy: -67.168176
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -119.732790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.732790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.732790 (E_RNA)
where:
Base-Base interactions energy: -73.757
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.364
local terms energy: -45.611274
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -159.973534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.973534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.973534 (E_RNA)
where:
Base-Base interactions energy: -105.003
where: short stacking energy: -37.475
Base-Backbone interact. energy: -0.706
local terms energy: -54.264169
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -75.346182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.346182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.346182 (E_RNA)
where:
Base-Base interactions energy: -26.255
where: short stacking energy: -13.947
Base-Backbone interact. energy: 1.613
local terms energy: -50.704144
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -8.619
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -99.796337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.796337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.796337 (E_RNA)
where:
Base-Base interactions energy: -55.902
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.957
local terms energy: -42.936767
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: 0.793
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: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -239.227684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.227684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.227684 (E_RNA)
where:
Base-Base interactions energy: -168.660
where: short stacking energy: -66.594
Base-Backbone interact. energy: 0.500
local terms energy: -71.067899
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -212.928267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.928267 (E_RNA)
where:
Base-Base interactions energy: -141.836
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.089
local terms energy: -71.002831
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -19.050
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: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -199.913981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.913981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.913981 (E_RNA)
where:
Base-Base interactions energy: -131.604
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.087
local terms energy: -68.223425
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.001
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -194.145007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145007 (E_RNA)
where:
Base-Base interactions energy: -126.697
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.110
local terms energy: -67.338080
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -188.252202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.252202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.252202 (E_RNA)
where:
Base-Base interactions energy: -122.901
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.042
local terms energy: -65.309115
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -147.715642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.715642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.715642 (E_RNA)
where:
Base-Base interactions energy: -89.386
where: short stacking energy: -44.654
Base-Backbone interact. energy: -0.081
local terms energy: -58.248753
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.403
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: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -146.033331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.033331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.033331 (E_RNA)
where:
Base-Base interactions energy: -94.111
where: short stacking energy: -36.666
Base-Backbone interact. energy: -0.103
local terms energy: -51.819011
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -5.710
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: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -152.435706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.435706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.435706 (E_RNA)
where:
Base-Base interactions energy: -101.666
where: short stacking energy: -52.947
Base-Backbone interact. energy: 0.307
local terms energy: -51.076399
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -86.882630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.882630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.882630 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -24.266
Base-Backbone interact. energy: -2.358
local terms energy: -47.682157
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -91.987414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987414 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -38.810
Base-Backbone interact. energy: -0.416
local terms energy: -52.637857
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -5.306
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: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -233.218254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.218254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.218254 (E_RNA)
where:
Base-Base interactions energy: -164.640
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.180
local terms energy: -68.397539
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -208.002522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.002522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.002522 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.045
local terms energy: -70.649487
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -12.354
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -210.012161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012161 (E_RNA)
where:
Base-Base interactions energy: -140.627
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.575
local terms energy: -68.809915
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -208.871808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.871808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.871808 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.009
local terms energy: -69.450401
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -181.803267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.803267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.803267 (E_RNA)
where:
Base-Base interactions energy: -115.378
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.621
local terms energy: -65.803475
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -152.547542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.547542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.547542 (E_RNA)
where:
Base-Base interactions energy: -101.694
where: short stacking energy: -43.735
Base-Backbone interact. energy: 0.280
local terms energy: -51.134262
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -7.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -139.467512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.467512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.467512 (E_RNA)
where:
Base-Base interactions energy: -73.945
where: short stacking energy: -42.298
Base-Backbone interact. energy: -0.075
local terms energy: -65.447451
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -9.277
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: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -99.030691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.030691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.030691 (E_RNA)
where:
Base-Base interactions energy: -54.071
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.395
local terms energy: -44.564175
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -3.908
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -134.571586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.571586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.571586 (E_RNA)
where:
Base-Base interactions energy: -80.181
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.339
local terms energy: -54.051236
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -2.447
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: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -80.418036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.418036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.418036 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -25.982
Base-Backbone interact. energy: -0.272
local terms energy: -42.949011
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: 1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -215.487255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487255 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.001
local terms energy: -72.723999
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -242.123140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.123140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.123140 (E_RNA)
where:
Base-Base interactions energy: -168.541
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.209
local terms energy: -73.373164
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.176
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -209.001537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.001537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.001537 (E_RNA)
where:
Base-Base interactions energy: -152.943
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.254
local terms energy: -55.804965
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -192.569099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.569099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.569099 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -54.149
Base-Backbone interact. energy: 0.378
local terms energy: -61.257829
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -10.836
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -173.683436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.683436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.683436 (E_RNA)
where:
Base-Base interactions energy: -107.336
where: short stacking energy: -53.262
Base-Backbone interact. energy: -1.134
local terms energy: -65.213789
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -180.835537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.835537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.835537 (E_RNA)
where:
Base-Base interactions energy: -114.822
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.108
local terms energy: -65.904825
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -148.758885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.758885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.758885 (E_RNA)
where:
Base-Base interactions energy: -102.763
where: short stacking energy: -52.806
Base-Backbone interact. energy: 0.753
local terms energy: -46.748906
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -101.742655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.742655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.742655 (E_RNA)
where:
Base-Base interactions energy: -47.604
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.278
local terms energy: -53.859795
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.879
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: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -146.381413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.381413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.381413 (E_RNA)
where:
Base-Base interactions energy: -95.055
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.778
local terms energy: -50.548658
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.660
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -87.494591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.494591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.494591 (E_RNA)
where:
Base-Base interactions energy: -30.819
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.093
local terms energy: -56.582321
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.711
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: 363
Temperature: 0.900000
Total energy: -209.716010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716010 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -61.075
Base-Backbone interact. energy: -0.274
local terms energy: -66.387312
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -208.362995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.362995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.362995 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.474
local terms energy: -64.285931
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -229.199006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.199006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.199006 (E_RNA)
where:
Base-Base interactions energy: -155.913
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.309
local terms energy: -72.976548
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -202.807201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.807201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.807201 (E_RNA)
where:
Base-Base interactions energy: -142.186
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.447
local terms energy: -60.174202
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -8.148
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: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -170.613160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.613160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.613160 (E_RNA)
where:
Base-Base interactions energy: -105.519
where: short stacking energy: -47.150
Base-Backbone interact. energy: -0.755
local terms energy: -64.338938
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -150.261614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.261614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.261614 (E_RNA)
where:
Base-Base interactions energy: -88.907
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.553
local terms energy: -60.801902
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -150.665513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.665513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.665513 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -46.309
Base-Backbone interact. energy: -0.017
local terms energy: -58.368877
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -5.781
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: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -140.773209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.773209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.773209 (E_RNA)
where:
Base-Base interactions energy: -81.588
where: short stacking energy: -40.007
Base-Backbone interact. energy: -0.690
local terms energy: -58.495307
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -99.488251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.488251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.488251 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.008
local terms energy: -53.091147
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -5.845
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: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -88.295078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295078 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.100
local terms energy: -54.928811
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -215.365512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.365512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.365512 (E_RNA)
where:
Base-Base interactions energy: -152.239
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.116
local terms energy: -63.009622
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -196.893772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893772 (E_RNA)
where:
Base-Base interactions energy: -129.452
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.106
local terms energy: -67.336288
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -11.863
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: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -210.001735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001735 (E_RNA)
where:
Base-Base interactions energy: -153.041
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.107
local terms energy: -56.853219
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.479
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -205.831858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.831858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.831858 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.149
local terms energy: -66.101199
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -158.530675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.530675 (E_RNA)
where:
Base-Base interactions energy: -94.645
where: short stacking energy: -51.692
Base-Backbone interact. energy: -0.134
local terms energy: -63.751694
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -10.309
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: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -152.510633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.510633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.510633 (E_RNA)
where:
Base-Base interactions energy: -98.386
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.337
local terms energy: -53.787490
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -157.104988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.104988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.104988 (E_RNA)
where:
Base-Base interactions energy: -102.212
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.018
local terms energy: -54.874947
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -5.687
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: 364
Temperature: 1.250000
Total energy: -158.292948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.292948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.292948 (E_RNA)
where:
Base-Base interactions energy: -96.533
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.013
local terms energy: -61.747025
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.294
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -99.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.119732 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.013
local terms energy: -55.544304
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -89.719932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719932 (E_RNA)
where:
Base-Base interactions energy: -34.919
where: short stacking energy: -34.919
Base-Backbone interact. energy: -0.006
local terms energy: -54.795042
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -211.089786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.089786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.089786 (E_RNA)
where:
Base-Base interactions energy: -139.175
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.036
local terms energy: -71.878141
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -229.365309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.365309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365309 (E_RNA)
where:
Base-Base interactions energy: -150.145
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.442
local terms energy: -78.778160
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -195.322536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.322536 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.136
local terms energy: -63.422734
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -206.169279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169279 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -50.156
Base-Backbone interact. energy: -0.665
local terms energy: -59.046466
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -158.707888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.707888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.707888 (E_RNA)
where:
Base-Base interactions energy: -94.888
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.219
local terms energy: -63.600224
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -10.464
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -172.685943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.685943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.685943 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.141
local terms energy: -64.485771
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -15.203
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: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -153.278190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.278190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.278190 (E_RNA)
where:
Base-Base interactions energy: -95.852
where: short stacking energy: -56.916
Base-Backbone interact. energy: 0.275
local terms energy: -57.700309
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -11.665
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: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -183.213705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.213705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.213705 (E_RNA)
where:
Base-Base interactions energy: -112.003
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.058
local terms energy: -71.152743
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -15.875
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: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -82.030920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030920 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.153
local terms energy: -43.298323
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -91.458259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458259 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.036
local terms energy: -55.761920
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -3.746
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -220.416602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.416602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.416602 (E_RNA)
where:
Base-Base interactions energy: -149.584
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.034
local terms energy: -70.798760
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -228.116799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.116799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.116799 (E_RNA)
where:
Base-Base interactions energy: -159.400
where: short stacking energy: -66.088
Base-Backbone interact. energy: -0.686
local terms energy: -68.030726
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -219.252103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.252103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252103 (E_RNA)
where:
Base-Base interactions energy: -143.358
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.615
local terms energy: -75.278896
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -196.773248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.773248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.773248 (E_RNA)
where:
Base-Base interactions energy: -126.051
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.008
local terms energy: -70.714297
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.607
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -172.570513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.570513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.570513 (E_RNA)
where:
Base-Base interactions energy: -104.547
where: short stacking energy: -49.847
Base-Backbone interact. energy: -0.475
local terms energy: -67.548837
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -10.312
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -141.297934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.297934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.297934 (E_RNA)
where:
Base-Base interactions energy: -81.819
where: short stacking energy: -34.245
Base-Backbone interact. energy: -0.716
local terms energy: -58.763579
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.149
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: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -178.639246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639246 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.001
local terms energy: -64.026880
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -138.881396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.881396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.881396 (E_RNA)
where:
Base-Base interactions energy: -83.539
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.125
local terms energy: -55.217704
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -4.244
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: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -78.411834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.411834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.411834 (E_RNA)
where:
Base-Base interactions energy: -28.056
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.167
local terms energy: -50.189527
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -72.781277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.781277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.781277 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -15.801
Base-Backbone interact. energy: -0.719
local terms energy: -47.660120
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -4.263
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: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -212.322932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.322932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.322932 (E_RNA)
where:
Base-Base interactions energy: -141.474
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.015
local terms energy: -70.833358
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -220.169953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.169953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.169953 (E_RNA)
where:
Base-Base interactions energy: -150.794
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.610
local terms energy: -68.765936
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.741
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: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -226.969351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.969351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.969351 (E_RNA)
where:
Base-Base interactions energy: -155.684
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.543
local terms energy: -70.742812
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -204.906785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906785 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.019
local terms energy: -71.797211
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -165.605993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.605993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.605993 (E_RNA)
where:
Base-Base interactions energy: -104.760
where: short stacking energy: -48.453
Base-Backbone interact. energy: -0.087
local terms energy: -60.759195
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.148
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: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -179.562299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.562299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.562299 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.012
local terms energy: -64.692450
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -154.834611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.834611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.834611 (E_RNA)
where:
Base-Base interactions energy: -97.719
where: short stacking energy: -41.922
Base-Backbone interact. energy: -0.356
local terms energy: -56.759456
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -137.589808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.589808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.589808 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.439
local terms energy: -49.217209
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -78.227061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.227061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.227061 (E_RNA)
where:
Base-Base interactions energy: -29.895
where: short stacking energy: -13.768
Base-Backbone interact. energy: -0.927
local terms energy: -47.405354
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -76.811888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.811888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.811888 (E_RNA)
where:
Base-Base interactions energy: -46.052
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.840
local terms energy: -29.919626
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: 4.884
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -223.841076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841076 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.276
local terms energy: -75.023006
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -209.274226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.274226 (E_RNA)
where:
Base-Base interactions energy: -141.584
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.391
local terms energy: -67.299566
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.557
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: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -220.164908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.164908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.164908 (E_RNA)
where:
Base-Base interactions energy: -160.506
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.612
local terms energy: -59.047001
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -198.627976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.627976 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.001
local terms energy: -69.424639
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -173.567525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567525 (E_RNA)
where:
Base-Base interactions energy: -110.103
where: short stacking energy: -55.146
Base-Backbone interact. energy: 1.792
local terms energy: -65.255702
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -163.097633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.097633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.097633 (E_RNA)
where:
Base-Base interactions energy: -106.826
where: short stacking energy: -52.252
Base-Backbone interact. energy: -0.118
local terms energy: -56.153487
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.888
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: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -159.942781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.942781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.942781 (E_RNA)
where:
Base-Base interactions energy: -100.242
where: short stacking energy: -53.613
Base-Backbone interact. energy: 0.770
local terms energy: -60.470293
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -11.533
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -146.520675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.520675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.520675 (E_RNA)
where:
Base-Base interactions energy: -88.000
where: short stacking energy: -36.217
Base-Backbone interact. energy: 2.192
local terms energy: -60.713249
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -96.930978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.930978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.930978 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -24.770
Base-Backbone interact. energy: -0.087
local terms energy: -58.068282
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -73.045491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.045491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.045491 (E_RNA)
where:
Base-Base interactions energy: -17.997
where: short stacking energy: -17.997
Base-Backbone interact. energy: -0.088
local terms energy: -54.961208
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -218.368540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.368540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.368540 (E_RNA)
where:
Base-Base interactions energy: -153.851
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.042
local terms energy: -64.475654
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -223.674802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674802 (E_RNA)
where:
Base-Base interactions energy: -152.328
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.282
local terms energy: -71.065032
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.255
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: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -204.022968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.022968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.022968 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -60.854
Base-Backbone interact. energy: 0.215
local terms energy: -61.779174
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -183.804865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.804865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.804865 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -60.827
Base-Backbone interact. energy: 0.570
local terms energy: -64.505847
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -8.472
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -188.425342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.425342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.425342 (E_RNA)
where:
Base-Base interactions energy: -124.212
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.001
local terms energy: -64.212757
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -16.521
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: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -150.979242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.979242 (E_RNA)
where:
Base-Base interactions energy: -96.054
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.071
local terms energy: -54.854458
where:
bonds (distance) C4'-P energy: -6.829
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -149.473807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.473807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.473807 (E_RNA)
where:
Base-Base interactions energy: -87.289
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.397
local terms energy: -61.788017
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -91.135411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135411 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -32.613
Base-Backbone interact. energy: -1.329
local terms energy: -56.679183
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -7.964
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: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -120.500614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.500614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.500614 (E_RNA)
where:
Base-Base interactions energy: -70.041
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.754
local terms energy: -49.706387
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -4.540
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: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -80.538685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.538685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.538685 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.055
local terms energy: -44.360080
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -4.974
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: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -225.545663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.545663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.545663 (E_RNA)
where:
Base-Base interactions energy: -148.501
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.531
local terms energy: -76.513560
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -212.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758007 (E_RNA)
where:
Base-Base interactions energy: -151.171
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.499
local terms energy: -61.087820
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -202.485489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.485489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.485489 (E_RNA)
where:
Base-Base interactions energy: -136.883
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.054
local terms energy: -65.548455
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -191.835225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.835225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.835225 (E_RNA)
where:
Base-Base interactions energy: -125.078
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.003
local terms energy: -66.753890
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -181.796846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.796846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.796846 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -58.454
Base-Backbone interact. energy: 0.107
local terms energy: -57.014504
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -152.117432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.117432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.117432 (E_RNA)
where:
Base-Base interactions energy: -89.208
where: short stacking energy: -51.148
Base-Backbone interact. energy: -0.013
local terms energy: -62.897044
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -148.389818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.389818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.389818 (E_RNA)
where:
Base-Base interactions energy: -86.210
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.420
local terms energy: -61.759633
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.060
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: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -91.030913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.030913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.030913 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -31.951
Base-Backbone interact. energy: 0.853
local terms energy: -55.776355
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -124.038498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.038498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.038498 (E_RNA)
where:
Base-Base interactions energy: -77.386
where: short stacking energy: -43.026
Base-Backbone interact. energy: -1.441
local terms energy: -45.212126
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -81.644009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644009 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.073
local terms energy: -52.514458
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -233.328285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.328285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.328285 (E_RNA)
where:
Base-Base interactions energy: -165.773
where: short stacking energy: -68.144
Base-Backbone interact. energy: -1.019
local terms energy: -66.536633
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -224.858456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.858456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.858456 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -63.959
Base-Backbone interact. energy: 1.100
local terms energy: -69.908015
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -192.684068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.684068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.684068 (E_RNA)
where:
Base-Base interactions energy: -129.881
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.737
local terms energy: -62.066152
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -210.528605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.528605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.528605 (E_RNA)
where:
Base-Base interactions energy: -144.174
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.082
local terms energy: -66.272410
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.218
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: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -183.947452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.947452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.947452 (E_RNA)
where:
Base-Base interactions energy: -117.062
where: short stacking energy: -66.653
Base-Backbone interact. energy: -0.000
local terms energy: -66.885629
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.598
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -160.798786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.798786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.798786 (E_RNA)
where:
Base-Base interactions energy: -95.945
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.014
local terms energy: -64.839319
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -156.816796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.816796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.816796 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -52.406
Base-Backbone interact. energy: -1.423
local terms energy: -61.093747
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -11.723
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: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -137.276136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.276136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.276136 (E_RNA)
where:
Base-Base interactions energy: -74.830
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.327
local terms energy: -62.119411
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -78.474013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.474013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.474013 (E_RNA)
where:
Base-Base interactions energy: -36.562
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.664
local terms energy: -41.248882
where:
bonds (distance) C4'-P energy: -5.657
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -68.016128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.016128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.016128 (E_RNA)
where:
Base-Base interactions energy: -28.165
where: short stacking energy: -21.442
Base-Backbone interact. energy: -0.243
local terms energy: -39.609020
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -223.168726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.168726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.168726 (E_RNA)
where:
Base-Base interactions energy: -151.868
where: short stacking energy: -61.193
Base-Backbone interact. energy: 0.032
local terms energy: -71.333213
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -228.799176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.799176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.799176 (E_RNA)
where:
Base-Base interactions energy: -155.452
where: short stacking energy: -64.657
Base-Backbone interact. energy: 0.088
local terms energy: -73.434832
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -211.336971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.336971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336971 (E_RNA)
where:
Base-Base interactions energy: -144.173
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.001
local terms energy: -67.163045
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -201.391209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.391209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.391209 (E_RNA)
where:
Base-Base interactions energy: -137.673
where: short stacking energy: -61.253
Base-Backbone interact. energy: -0.001
local terms energy: -63.717496
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -183.061299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.061299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.061299 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -47.817
Base-Backbone interact. energy: -0.144
local terms energy: -66.086059
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -149.117911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.117911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.117911 (E_RNA)
where:
Base-Base interactions energy: -93.843
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.559
local terms energy: -54.716599
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -153.331320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.331320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.331320 (E_RNA)
where:
Base-Base interactions energy: -90.819
where: short stacking energy: -41.564
Base-Backbone interact. energy: -0.010
local terms energy: -62.501730
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -10.194
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: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -141.126419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.126419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.126419 (E_RNA)
where:
Base-Base interactions energy: -82.083
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.179
local terms energy: -58.865124
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -7.160
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: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -80.082108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.082108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.082108 (E_RNA)
where:
Base-Base interactions energy: -32.773
where: short stacking energy: -22.880
Base-Backbone interact. energy: 2.160
local terms energy: -49.468313
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -10.135
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: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -76.864166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864166 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -23.341
Base-Backbone interact. energy: -0.065
local terms energy: -49.332225
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.572
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: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -229.602371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.602371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.602371 (E_RNA)
where:
Base-Base interactions energy: -157.470
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.885
local terms energy: -71.248102
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -18.090
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: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -235.034564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.034564 (E_RNA)
where:
Base-Base interactions energy: -170.924
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.616
local terms energy: -63.494842
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -216.616648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.616648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.616648 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.001
local terms energy: -74.005204
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.593
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: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -189.938764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.938764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.938764 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.296
local terms energy: -63.629695
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -188.494134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.494134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.494134 (E_RNA)
where:
Base-Base interactions energy: -121.582
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.123
local terms energy: -66.789377
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.762
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: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -158.737518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.737518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.737518 (E_RNA)
where:
Base-Base interactions energy: -94.967
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.083
local terms energy: -63.687774
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -161.663690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.663690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.663690 (E_RNA)
where:
Base-Base interactions energy: -97.745
where: short stacking energy: -48.230
Base-Backbone interact. energy: 0.176
local terms energy: -64.094137
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -10.592
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: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -99.358208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.358208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.358208 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -42.954
Base-Backbone interact. energy: -1.011
local terms energy: -47.903939
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -119.342049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.342049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.342049 (E_RNA)
where:
Base-Base interactions energy: -71.694
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.126
local terms energy: -47.522361
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -86.210712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.210712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.210712 (E_RNA)
where:
Base-Base interactions energy: -35.294
where: short stacking energy: -25.949
Base-Backbone interact. energy: -0.192
local terms energy: -50.724949
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -7.459
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: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -236.180500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.180500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.180500 (E_RNA)
where:
Base-Base interactions energy: -165.855
where: short stacking energy: -69.502
Base-Backbone interact. energy: 0.210
local terms energy: -70.535853
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -16.025
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: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -221.011495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011495 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.447
local terms energy: -62.526463
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -217.938333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.938333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.938333 (E_RNA)
where:
Base-Base interactions energy: -147.698
where: short stacking energy: -76.346
Base-Backbone interact. energy: -0.003
local terms energy: -70.236809
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.423
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: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -187.219343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.219343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.219343 (E_RNA)
where:
Base-Base interactions energy: -116.202
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.472
local terms energy: -70.545461
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -156.216180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.216180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.216180 (E_RNA)
where:
Base-Base interactions energy: -98.309
where: short stacking energy: -45.917
Base-Backbone interact. energy: -1.261
local terms energy: -56.646520
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.404
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: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -174.146439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.146439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.146439 (E_RNA)
where:
Base-Base interactions energy: -116.655
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.016
local terms energy: -57.475416
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -163.696961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.696961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.696961 (E_RNA)
where:
Base-Base interactions energy: -100.007
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.324
local terms energy: -63.365468
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -121.117132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.117132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.117132 (E_RNA)
where:
Base-Base interactions energy: -68.894
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.084
local terms energy: -52.139045
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.877
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: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -89.558055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.558055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.558055 (E_RNA)
where:
Base-Base interactions energy: -36.385
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.288
local terms energy: -52.885062
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.152
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: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.296723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.296723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.296723 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.125
local terms energy: -44.478824
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -241.375821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.375821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.375821 (E_RNA)
where:
Base-Base interactions energy: -173.262
where: short stacking energy: -65.210
Base-Backbone interact. energy: -0.113
local terms energy: -68.000757
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -217.432237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.432237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432237 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.218
local terms energy: -69.073656
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -205.979438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.979438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.979438 (E_RNA)
where:
Base-Base interactions energy: -135.083
where: short stacking energy: -61.009
Base-Backbone interact. energy: -0.104
local terms energy: -70.792254
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -194.336214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.336214 (E_RNA)
where:
Base-Base interactions energy: -124.513
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.070
local terms energy: -69.753358
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -157.174121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.174121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.174121 (E_RNA)
where:
Base-Base interactions energy: -95.025
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.319
local terms energy: -61.829774
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -10.808
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: 375
Temperature: 1.150000
Total energy: -188.770585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.770585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.770585 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.304
local terms energy: -61.110225
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.889
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -153.783086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.783086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.783086 (E_RNA)
where:
Base-Base interactions energy: -89.659
where: short stacking energy: -42.611
Base-Backbone interact. energy: -0.029
local terms energy: -64.094876
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -131.589224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.589224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.589224 (E_RNA)
where:
Base-Base interactions energy: -74.564
where: short stacking energy: -36.576
Base-Backbone interact. energy: 0.626
local terms energy: -57.651293
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -77.516427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516427 (E_RNA)
where:
Base-Base interactions energy: -28.753
where: short stacking energy: -31.910
Base-Backbone interact. energy: 0.034
local terms energy: -48.797381
where:
bonds (distance) C4'-P energy: -6.590
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -74.255094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.255094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.255094 (E_RNA)
where:
Base-Base interactions energy: -26.038
where: short stacking energy: -20.203
Base-Backbone interact. energy: -0.332
local terms energy: -47.884581
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: 5.170
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: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -235.326894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.326894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.326894 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -67.025
Base-Backbone interact. energy: -0.137
local terms energy: -66.493127
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -229.463583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.463583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.463583 (E_RNA)
where:
Base-Base interactions energy: -155.898
where: short stacking energy: -62.511
Base-Backbone interact. energy: 2.155
local terms energy: -75.720133
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -204.421042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.421042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.421042 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.011
local terms energy: -73.105006
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -203.040152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.040152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.040152 (E_RNA)
where:
Base-Base interactions energy: -139.176
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.014
local terms energy: -63.850697
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -189.497794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.497794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.497794 (E_RNA)
where:
Base-Base interactions energy: -126.309
where: short stacking energy: -61.666
Base-Backbone interact. energy: -0.007
local terms energy: -63.182327
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -173.477291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.477291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.477291 (E_RNA)
where:
Base-Base interactions energy: -103.490
where: short stacking energy: -59.356
Base-Backbone interact. energy: -1.058
local terms energy: -68.929533
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -141.812173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.812173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.812173 (E_RNA)
where:
Base-Base interactions energy: -84.672
where: short stacking energy: -45.055
Base-Backbone interact. energy: -0.601
local terms energy: -56.538966
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.343
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: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -120.235774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.235774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.235774 (E_RNA)
where:
Base-Base interactions energy: -62.022
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.191
local terms energy: -58.023548
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -6.296
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -84.355400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.355400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.355400 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -24.028
Base-Backbone interact. energy: -1.037
local terms energy: -50.881921
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -80.965522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965522 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.169
local terms energy: -51.338763
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -232.662400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662400 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -73.708
Base-Backbone interact. energy: -0.015
local terms energy: -73.039187
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -224.685734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.685734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.685734 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.380
local terms energy: -65.729633
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -208.557876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.557876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.557876 (E_RNA)
where:
Base-Base interactions energy: -137.195
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.416
local terms energy: -70.947002
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.765
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: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -195.564933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.564933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.564933 (E_RNA)
where:
Base-Base interactions energy: -132.320
where: short stacking energy: -59.422
Base-Backbone interact. energy: 0.219
local terms energy: -63.463096
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -181.526725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.526725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.526725 (E_RNA)
where:
Base-Base interactions energy: -121.285
where: short stacking energy: -58.049
Base-Backbone interact. energy: 0.984
local terms energy: -61.226167
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.475
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -147.965607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.965607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.965607 (E_RNA)
where:
Base-Base interactions energy: -90.168
where: short stacking energy: -47.288
Base-Backbone interact. energy: -0.057
local terms energy: -57.741066
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -155.767405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.767405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.767405 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -51.847
Base-Backbone interact. energy: -0.115
local terms energy: -61.613202
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -115.854081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.854081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.854081 (E_RNA)
where:
Base-Base interactions energy: -69.545
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.217
local terms energy: -46.091815
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -81.872327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.872327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.872327 (E_RNA)
where:
Base-Base interactions energy: -29.126
where: short stacking energy: -26.454
Base-Backbone interact. energy: -0.206
local terms energy: -52.539832
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -81.975292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.975292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.975292 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -27.250
Base-Backbone interact. energy: 2.351
local terms energy: -49.459071
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -229.587713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.587713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.587713 (E_RNA)
where:
Base-Base interactions energy: -159.816
where: short stacking energy: -63.503
Base-Backbone interact. energy: 2.409
local terms energy: -72.180479
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -239.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.884136 (E_RNA)
where:
Base-Base interactions energy: -169.723
where: short stacking energy: -59.143
Base-Backbone interact. energy: 0.791
local terms energy: -70.951771
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -206.549755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.549755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.549755 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.001
local terms energy: -72.815791
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -204.039178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039178 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -65.643
Base-Backbone interact. energy: -0.006
local terms energy: -72.512087
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -189.944552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.944552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.944552 (E_RNA)
where:
Base-Base interactions energy: -133.394
where: short stacking energy: -61.547
Base-Backbone interact. energy: 1.300
local terms energy: -57.850756
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -13.420
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: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -139.683852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.683852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.683852 (E_RNA)
where:
Base-Base interactions energy: -75.456
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.086
local terms energy: -64.142744
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -121.647073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.647073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.647073 (E_RNA)
where:
Base-Base interactions energy: -71.016
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.422
local terms energy: -50.209985
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -5.512
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -158.900605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.900605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.900605 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.053
local terms energy: -63.542707
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -5.687
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: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -73.451147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.451147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.451147 (E_RNA)
where:
Base-Base interactions energy: -21.453
where: short stacking energy: -19.628
Base-Backbone interact. energy: -1.353
local terms energy: -50.645031
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: 4.933
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: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -81.555011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555011 (E_RNA)
where:
Base-Base interactions energy: -38.360
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.291
local terms energy: -42.903864
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -0.871
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: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -240.537673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.537673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.537673 (E_RNA)
where:
Base-Base interactions energy: -177.379
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.222
local terms energy: -62.937296
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -238.215385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.215385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215385 (E_RNA)
where:
Base-Base interactions energy: -163.656
where: short stacking energy: -61.806
Base-Backbone interact. energy: 0.751
local terms energy: -75.310399
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.921
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: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -191.517676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.517676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.517676 (E_RNA)
where:
Base-Base interactions energy: -131.122
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.193
local terms energy: -60.202539
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.274
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: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -204.563022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.563022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.563022 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.093
local terms energy: -74.540909
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -198.391941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391941 (E_RNA)
where:
Base-Base interactions energy: -137.305
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.002
local terms energy: -61.085128
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -10.880
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -134.597365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.597365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.597365 (E_RNA)
where:
Base-Base interactions energy: -91.120
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.334
local terms energy: -43.143311
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -4.938
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: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -152.828554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.828554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.828554 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.593
local terms energy: -56.690948
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -80.758118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758118 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -21.008
Base-Backbone interact. energy: -0.140
local terms energy: -46.122016
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -133.717958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.717958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.717958 (E_RNA)
where:
Base-Base interactions energy: -77.368
where: short stacking energy: -40.954
Base-Backbone interact. energy: -0.122
local terms energy: -56.227666
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -74.143633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.143633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.143633 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -22.912
Base-Backbone interact. energy: 0.477
local terms energy: -43.806609
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -7.648
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -233.774960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.774960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.774960 (E_RNA)
where:
Base-Base interactions energy: -165.275
where: short stacking energy: -55.555
Base-Backbone interact. energy: 0.316
local terms energy: -68.816179
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -230.835631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.835631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.835631 (E_RNA)
where:
Base-Base interactions energy: -160.632
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.949
local terms energy: -69.254092
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -210.652065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.652065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.652065 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -73.932
Base-Backbone interact. energy: -0.032
local terms energy: -64.562544
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -188.832004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.832004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.832004 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.148
local terms energy: -58.776102
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -190.076421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076421 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.035
local terms energy: -70.330061
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -128.368986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.368986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.368986 (E_RNA)
where:
Base-Base interactions energy: -68.881
where: short stacking energy: -37.678
Base-Backbone interact. energy: -1.063
local terms energy: -58.424938
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -11.326
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: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -97.391878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.391878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.391878 (E_RNA)
where:
Base-Base interactions energy: -42.919
where: short stacking energy: -42.919
Base-Backbone interact. energy: -0.044
local terms energy: -54.428406
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -6.410
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: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -130.934550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.934550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.934550 (E_RNA)
where:
Base-Base interactions energy: -75.774
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.567
local terms energy: -54.593373
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -10.245
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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -79.139377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.139377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.139377 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -30.085
Base-Backbone interact. energy: -0.282
local terms energy: -46.823234
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -0.045
tors. eta vs tors. theta energy: -4.389
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: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -103.585915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.585915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.585915 (E_RNA)
where:
Base-Base interactions energy: -64.612
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.701
local terms energy: -38.272369
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: 5.110
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -233.058586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.058586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.058586 (E_RNA)
where:
Base-Base interactions energy: -161.097
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.608
local terms energy: -71.353872
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -215.026027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.026027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.026027 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.081
local terms energy: -71.301990
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -7.653
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: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -218.377126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.377126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.377126 (E_RNA)
where:
Base-Base interactions energy: -148.808
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.230
local terms energy: -69.338457
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -192.087866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.087866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.087866 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -54.655
Base-Backbone interact. energy: -0.127
local terms energy: -76.178330
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -19.919
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: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -190.827792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827792 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.439
local terms energy: -54.973600
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.385
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: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -125.969121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.969121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.969121 (E_RNA)
where:
Base-Base interactions energy: -70.406
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.394
local terms energy: -55.168907
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -110.483891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.483891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.483891 (E_RNA)
where:
Base-Base interactions energy: -56.241
where: short stacking energy: -25.225
Base-Backbone interact. energy: -0.405
local terms energy: -53.838155
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -127.631844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.631844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.631844 (E_RNA)
where:
Base-Base interactions energy: -67.189
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.239
local terms energy: -60.203481
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -100.187027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.187027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.187027 (E_RNA)
where:
Base-Base interactions energy: -44.998
where: short stacking energy: -34.711
Base-Backbone interact. energy: 1.233
local terms energy: -56.422226
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.123
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: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -94.694493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.694493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.694493 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.121
local terms energy: -50.631892
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -238.465783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.465783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.465783 (E_RNA)
where:
Base-Base interactions energy: -167.680
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.547
local terms energy: -70.238454
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -221.311719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.311719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.311719 (E_RNA)
where:
Base-Base interactions energy: -145.692
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.052
local terms energy: -75.567792
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -197.153833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.153833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.153833 (E_RNA)
where:
Base-Base interactions energy: -120.494
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.005
local terms energy: -76.655021
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -222.848139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.848139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.848139 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.186
local terms energy: -68.352411
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.780
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: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -200.729618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.729618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.729618 (E_RNA)
where:
Base-Base interactions energy: -132.146
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.014
local terms energy: -68.569448
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -154.943175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.943175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.943175 (E_RNA)
where:
Base-Base interactions energy: -88.806
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.024
local terms energy: -66.113087
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -127.819106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.819106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.819106 (E_RNA)
where:
Base-Base interactions energy: -73.206
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.398
local terms energy: -54.215558
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -136.946046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.946046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.946046 (E_RNA)
where:
Base-Base interactions energy: -77.839
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.329
local terms energy: -58.778100
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -101.099726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099726 (E_RNA)
where:
Base-Base interactions energy: -52.477
where: short stacking energy: -42.255
Base-Backbone interact. energy: -0.184
local terms energy: -48.438265
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -6.821
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: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -72.618590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.618590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.618590 (E_RNA)
where:
Base-Base interactions energy: -26.193
where: short stacking energy: -23.834
Base-Backbone interact. energy: 1.136
local terms energy: -47.561327
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -238.729196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.729196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.729196 (E_RNA)
where:
Base-Base interactions energy: -163.552
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.138
local terms energy: -75.038658
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -17.538
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -204.035741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.035741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.035741 (E_RNA)
where:
Base-Base interactions energy: -135.267
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.008
local terms energy: -68.760727
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -215.651214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.651214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.651214 (E_RNA)
where:
Base-Base interactions energy: -145.837
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.469
local terms energy: -69.345631
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -5.318
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: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -211.995025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.995025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.995025 (E_RNA)
where:
Base-Base interactions energy: -139.069
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.286
local terms energy: -72.640397
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -187.992678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.992678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.992678 (E_RNA)
where:
Base-Base interactions energy: -129.904
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.163
local terms energy: -57.925405
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -8.940
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -156.404799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.404799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.404799 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.172
local terms energy: -57.087227
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -136.363096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.363096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.363096 (E_RNA)
where:
Base-Base interactions energy: -75.222
where: short stacking energy: -40.830
Base-Backbone interact. energy: -0.112
local terms energy: -61.028559
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -131.423871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.423871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.423871 (E_RNA)
where:
Base-Base interactions energy: -75.071
where: short stacking energy: -31.555
Base-Backbone interact. energy: 1.574
local terms energy: -57.926763
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -10.533
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -87.817941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.817941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.817941 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -33.349
Base-Backbone interact. energy: -0.227
local terms energy: -49.135652
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -89.490167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.490167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.490167 (E_RNA)
where:
Base-Base interactions energy: -48.401
where: short stacking energy: -18.538
Base-Backbone interact. energy: -0.836
local terms energy: -40.252917
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -0.888
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: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -223.430718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.430718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.430718 (E_RNA)
where:
Base-Base interactions energy: -154.193
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.032
local terms energy: -69.205521
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -211.182887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182887 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.797
local terms energy: -75.439178
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -16.885
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -219.667491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667491 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.295
local terms energy: -66.755133
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -210.314456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.314456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.314456 (E_RNA)
where:
Base-Base interactions energy: -139.421
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.059
local terms energy: -70.835089
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -188.102475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102475 (E_RNA)
where:
Base-Base interactions energy: -125.911
where: short stacking energy: -51.986
Base-Backbone interact. energy: -0.736
local terms energy: -61.455914
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -195.295210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.295210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.295210 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.519
local terms energy: -71.386898
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.908
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: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -154.019105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.019105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.019105 (E_RNA)
where:
Base-Base interactions energy: -88.620
where: short stacking energy: -40.911
Base-Backbone interact. energy: -0.281
local terms energy: -65.118036
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -126.731346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.731346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.731346 (E_RNA)
where:
Base-Base interactions energy: -70.685
where: short stacking energy: -37.259
Base-Backbone interact. energy: 0.416
local terms energy: -56.462374
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -100.819171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.819171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.819171 (E_RNA)
where:
Base-Base interactions energy: -57.927
where: short stacking energy: -24.566
Base-Backbone interact. energy: -0.216
local terms energy: -42.675771
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -77.429137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429137 (E_RNA)
where:
Base-Base interactions energy: -25.497
where: short stacking energy: -23.345
Base-Backbone interact. energy: 0.003
local terms energy: -51.935514
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -6.798
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: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -230.329486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.329486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.329486 (E_RNA)
where:
Base-Base interactions energy: -159.655
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.012
local terms energy: -70.662279
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -224.219679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.219679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.219679 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.351
local terms energy: -74.054551
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.645
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: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -210.597916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.597916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597916 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -76.311
Base-Backbone interact. energy: 1.254
local terms energy: -75.851434
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -199.503554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.503554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.503554 (E_RNA)
where:
Base-Base interactions energy: -127.962
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.091
local terms energy: -71.450218
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -207.104899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.104899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.104899 (E_RNA)
where:
Base-Base interactions energy: -137.127
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.127
local terms energy: -69.850366
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.236
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: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -168.757990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.757990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.757990 (E_RNA)
where:
Base-Base interactions energy: -108.009
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.115
local terms energy: -60.634446
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -154.867338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.867338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.867338 (E_RNA)
where:
Base-Base interactions energy: -97.548
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.093
local terms energy: -57.226637
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.527
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: 385
Temperature: 1.250000
Total energy: -137.940562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.940562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.940562 (E_RNA)
where:
Base-Base interactions energy: -82.031
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.102
local terms energy: -55.807629
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -89.001781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001781 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.235
local terms energy: -52.620152
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -2.688
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: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -74.433304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.433304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.433304 (E_RNA)
where:
Base-Base interactions energy: -27.319
where: short stacking energy: -24.417
Base-Backbone interact. energy: -0.047
local terms energy: -47.066759
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -226.936003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.936003 (E_RNA)
where:
Base-Base interactions energy: -157.066
where: short stacking energy: -65.963
Base-Backbone interact. energy: -0.461
local terms energy: -69.409617
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -227.462271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.462271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.462271 (E_RNA)
where:
Base-Base interactions energy: -162.075
where: short stacking energy: -63.782
Base-Backbone interact. energy: 0.840
local terms energy: -66.227048
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -208.028402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.028402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028402 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.219
local terms energy: -64.152896
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -8.861
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: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -205.941246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.941246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.941246 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -58.684
Base-Backbone interact. energy: 0.892
local terms energy: -65.271108
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -195.019535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019535 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.285
local terms energy: -66.478565
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -166.292162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.292162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.292162 (E_RNA)
where:
Base-Base interactions energy: -108.187
where: short stacking energy: -64.174
Base-Backbone interact. energy: -1.462
local terms energy: -56.642964
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -156.049592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.049592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.049592 (E_RNA)
where:
Base-Base interactions energy: -97.319
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.703
local terms energy: -58.027979
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -122.322258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.322258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.322258 (E_RNA)
where:
Base-Base interactions energy: -64.785
where: short stacking energy: -37.901
Base-Backbone interact. energy: -0.387
local terms energy: -57.149973
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.854
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: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -90.246219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.246219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.246219 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -14.062
Base-Backbone interact. energy: -0.065
local terms energy: -51.142472
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -76.449219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449219 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -22.739
Base-Backbone interact. energy: 0.848
local terms energy: -46.068062
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -5.699
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: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -229.864402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.864402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.864402 (E_RNA)
where:
Base-Base interactions energy: -159.329
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.519
local terms energy: -70.016959
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -231.308031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.308031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.308031 (E_RNA)
where:
Base-Base interactions energy: -163.997
where: short stacking energy: -68.248
Base-Backbone interact. energy: 0.899
local terms energy: -68.210813
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -195.644415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.644415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644415 (E_RNA)
where:
Base-Base interactions energy: -130.986
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.041
local terms energy: -64.617202
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -192.404993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.404993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.404993 (E_RNA)
where:
Base-Base interactions energy: -117.017
where: short stacking energy: -54.477
Base-Backbone interact. energy: -0.088
local terms energy: -75.299790
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -189.698428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.698428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.698428 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.477
local terms energy: -60.858521
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -174.582160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.582160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.582160 (E_RNA)
where:
Base-Base interactions energy: -109.013
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.005
local terms energy: -65.563879
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -11.008
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: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -147.172848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.172848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.172848 (E_RNA)
where:
Base-Base interactions energy: -88.935
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.401
local terms energy: -57.836562
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -10.078
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: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -100.843200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.843200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.843200 (E_RNA)
where:
Base-Base interactions energy: -60.241
where: short stacking energy: -30.547
Base-Backbone interact. energy: 1.830
local terms energy: -42.432016
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: 1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -97.163201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.163201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.163201 (E_RNA)
where:
Base-Base interactions energy: -40.538
where: short stacking energy: -35.827
Base-Backbone interact. energy: -0.119
local terms energy: -56.505549
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -6.630
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: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.130198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.130198 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -25.143
Base-Backbone interact. energy: -0.084
local terms energy: -42.047788
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -6.865
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -232.229273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.229273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.229273 (E_RNA)
where:
Base-Base interactions energy: -156.648
where: short stacking energy: -62.330
Base-Backbone interact. energy: -0.093
local terms energy: -75.487952
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -18.820
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: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -223.163049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.163049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163049 (E_RNA)
where:
Base-Base interactions energy: -158.527
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.599
local terms energy: -64.036747
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -199.970653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.970653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.970653 (E_RNA)
where:
Base-Base interactions energy: -122.500
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.812
local terms energy: -76.658312
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -194.936726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.936726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.936726 (E_RNA)
where:
Base-Base interactions energy: -125.745
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.095
local terms energy: -69.097489
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -191.423673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.423673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.423673 (E_RNA)
where:
Base-Base interactions energy: -127.335
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.006
local terms energy: -64.083162
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.338
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: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -167.452407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.452407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.452407 (E_RNA)
where:
Base-Base interactions energy: -105.598
where: short stacking energy: -53.451
Base-Backbone interact. energy: -0.005
local terms energy: -61.849003
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -94.855145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.855145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.855145 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -19.327
Base-Backbone interact. energy: -0.079
local terms energy: -55.952604
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -129.789919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.789919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.789919 (E_RNA)
where:
Base-Base interactions energy: -72.560
where: short stacking energy: -38.733
Base-Backbone interact. energy: -0.102
local terms energy: -57.127361
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -87.649107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.649107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.649107 (E_RNA)
where:
Base-Base interactions energy: -36.888
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.531
local terms energy: -50.230470
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -83.027022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.027022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.027022 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -34.462
Base-Backbone interact. energy: 0.422
local terms energy: -48.558687
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.099
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: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -228.865018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.865018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.865018 (E_RNA)
where:
Base-Base interactions energy: -156.825
where: short stacking energy: -66.690
Base-Backbone interact. energy: -1.153
local terms energy: -70.887565
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -17.592
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -234.657626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.657626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.657626 (E_RNA)
where:
Base-Base interactions energy: -167.472
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.909
local terms energy: -66.277147
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -212.086009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.086009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.086009 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -68.307
Base-Backbone interact. energy: -0.573
local terms energy: -70.610266
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -200.744353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.744353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.744353 (E_RNA)
where:
Base-Base interactions energy: -137.322
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.004
local terms energy: -63.418928
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -204.667623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.667623 (E_RNA)
where:
Base-Base interactions energy: -138.859
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.017
local terms energy: -65.791753
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -146.532307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.532307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.532307 (E_RNA)
where:
Base-Base interactions energy: -89.969
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.103
local terms energy: -56.459580
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -89.773604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.773604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.773604 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -19.457
Base-Backbone interact. energy: -0.261
local terms energy: -54.044422
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: 3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -119.943676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.943676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.943676 (E_RNA)
where:
Base-Base interactions energy: -72.965
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.498
local terms energy: -46.480627
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -82.602214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.602214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.602214 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.279
local terms energy: -47.425275
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.441
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: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -76.795291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.795291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.795291 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.109
local terms energy: -46.401784
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -228.805277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.805277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.805277 (E_RNA)
where:
Base-Base interactions energy: -156.997
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.635
local terms energy: -71.173351
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -234.373042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.373042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.373042 (E_RNA)
where:
Base-Base interactions energy: -160.965
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.112
local terms energy: -73.296327
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -209.943939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.943939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.943939 (E_RNA)
where:
Base-Base interactions energy: -138.824
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.096
local terms energy: -71.024016
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -21.972
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: 390
Temperature: 1.050000
Total energy: -193.102920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.102920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.102920 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.004
local terms energy: -68.232109
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.189
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: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -173.424064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.424064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.424064 (E_RNA)
where:
Base-Base interactions energy: -106.301
where: short stacking energy: -57.367
Base-Backbone interact. energy: -1.704
local terms energy: -65.418579
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -12.243
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: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -191.409685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.409685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.409685 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.031
local terms energy: -66.203869
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -135.551931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.551931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.551931 (E_RNA)
where:
Base-Base interactions energy: -76.821
where: short stacking energy: -31.332
Base-Backbone interact. energy: -0.490
local terms energy: -58.240759
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.405
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: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -99.970522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.970522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.970522 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.382
local terms energy: -55.044907
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -73.723837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.723837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.723837 (E_RNA)
where:
Base-Base interactions energy: -35.066
where: short stacking energy: -34.913
Base-Backbone interact. energy: -0.297
local terms energy: -38.361216
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -7.651
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: 0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.600490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600490 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.414
local terms energy: -47.189108
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -3.016
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -230.775713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.775713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.775713 (E_RNA)
where:
Base-Base interactions energy: -168.403
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.637
local terms energy: -61.735151
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -243.578554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.578554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.578554 (E_RNA)
where:
Base-Base interactions energy: -165.466
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.083
local terms energy: -78.030185
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -217.684841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684841 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.317
local terms energy: -73.113460
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -6.664
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: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -196.603332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.603332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.603332 (E_RNA)
where:
Base-Base interactions energy: -133.159
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.021
local terms energy: -63.422870
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -184.400995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.400995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.400995 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -58.770
Base-Backbone interact. energy: 1.204
local terms energy: -67.946392
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -189.263619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.263619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.263619 (E_RNA)
where:
Base-Base interactions energy: -130.199
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.020
local terms energy: -59.044354
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -155.950045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.950045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.950045 (E_RNA)
where:
Base-Base interactions energy: -100.168
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.100
local terms energy: -55.681812
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -92.735713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.735713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.735713 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -30.749
Base-Backbone interact. energy: 0.369
local terms energy: -52.185778
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.578
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -75.001491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.001491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.001491 (E_RNA)
where:
Base-Base interactions energy: -27.811
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.079
local terms energy: -47.111206
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -105.660728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660728 (E_RNA)
where:
Base-Base interactions energy: -52.261
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.262
local terms energy: -53.137598
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -6.887
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -241.310208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.310208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.310208 (E_RNA)
where:
Base-Base interactions energy: -168.282
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.139
local terms energy: -72.889745
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -18.205
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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -226.636249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.636249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.636249 (E_RNA)
where:
Base-Base interactions energy: -160.351
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.514
local terms energy: -65.771164
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.207
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -209.256579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.256579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.256579 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -63.159
Base-Backbone interact. energy: 1.371
local terms energy: -74.081045
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.161
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -188.014551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.014551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.014551 (E_RNA)
where:
Base-Base interactions energy: -120.048
where: short stacking energy: -46.685
Base-Backbone interact. energy: -0.062
local terms energy: -67.904825
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -187.993079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.993079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.993079 (E_RNA)
where:
Base-Base interactions energy: -123.261
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.664
local terms energy: -64.068310
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -184.996361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996361 (E_RNA)
where:
Base-Base interactions energy: -121.995
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.091
local terms energy: -62.910355
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.494
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -92.736929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.736929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.736929 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -36.347
Base-Backbone interact. energy: -0.485
local terms energy: -55.905453
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -9.884
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: 392
Temperature: 1.250000
Total energy: -81.400887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.400887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.400887 (E_RNA)
where:
Base-Base interactions energy: -26.515
where: short stacking energy: -17.715
Base-Backbone interact. energy: -0.194
local terms energy: -54.692631
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -81.033369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.033369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.033369 (E_RNA)
where:
Base-Base interactions energy: -24.057
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.087
local terms energy: -56.889199
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.585489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.585489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.585489 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -26.327
Base-Backbone interact. energy: 0.838
local terms energy: -47.871536
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: 1.788
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -236.770256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770256 (E_RNA)
where:
Base-Base interactions energy: -162.394
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.131
local terms energy: -74.245946
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -6.150
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: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -220.969627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.969627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.969627 (E_RNA)
where:
Base-Base interactions energy: -149.932
where: short stacking energy: -58.382
Base-Backbone interact. energy: 0.972
local terms energy: -72.008856
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -220.957392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.957392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.957392 (E_RNA)
where:
Base-Base interactions energy: -150.504
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.233
local terms energy: -70.220199
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -183.379770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379770 (E_RNA)
where:
Base-Base interactions energy: -115.576
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.441
local terms energy: -67.362254
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -191.824495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.824495 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -61.735
Base-Backbone interact. energy: -0.366
local terms energy: -68.651203
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.396
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: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -97.238073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.238073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.238073 (E_RNA)
where:
Base-Base interactions energy: -38.072
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.127
local terms energy: -59.039431
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -11.148
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: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -146.345906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.345906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.345906 (E_RNA)
where:
Base-Base interactions energy: -92.562
where: short stacking energy: -52.241
Base-Backbone interact. energy: 0.894
local terms energy: -54.678012
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -10.117
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: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -77.457629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457629 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.261
local terms energy: -42.436448
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -0.629
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -92.086065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086065 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.006
local terms energy: -57.954051
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -71.668641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.668641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.668641 (E_RNA)
where:
Base-Base interactions energy: -27.064
where: short stacking energy: -25.599
Base-Backbone interact. energy: -0.046
local terms energy: -44.558551
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -215.338364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.338364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.338364 (E_RNA)
where:
Base-Base interactions energy: -152.372
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.253
local terms energy: -62.713421
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -213.225957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.225957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.225957 (E_RNA)
where:
Base-Base interactions energy: -142.384
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.001
local terms energy: -70.841114
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.314
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: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -220.737608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.737608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.737608 (E_RNA)
where:
Base-Base interactions energy: -156.152
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.465
local terms energy: -64.120593
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -192.496165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496165 (E_RNA)
where:
Base-Base interactions energy: -129.972
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.142
local terms energy: -62.382246
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.907
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: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -182.202954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.202954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.202954 (E_RNA)
where:
Base-Base interactions energy: -124.959
where: short stacking energy: -48.658
Base-Backbone interact. energy: 0.445
local terms energy: -57.688666
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -109.512793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.512793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.512793 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.012
local terms energy: -61.864838
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -90.771176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.771176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.771176 (E_RNA)
where:
Base-Base interactions energy: -42.347
where: short stacking energy: -37.636
Base-Backbone interact. energy: -0.072
local terms energy: -48.352507
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -117.214267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.214267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.214267 (E_RNA)
where:
Base-Base interactions energy: -61.000
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.489
local terms energy: -55.725331
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.795
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: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -83.045324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.045324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.045324 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.221
local terms energy: -42.167055
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -1.804
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -70.275958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.275958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.275958 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -26.709
Base-Backbone interact. energy: -0.519
local terms energy: -40.604346
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -231.376289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.376289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.376289 (E_RNA)
where:
Base-Base interactions energy: -158.762
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.441
local terms energy: -72.173870
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -219.034466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.034466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.034466 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -57.612
Base-Backbone interact. energy: -1.160
local terms energy: -66.369065
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -206.319768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.319768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319768 (E_RNA)
where:
Base-Base interactions energy: -138.972
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.152
local terms energy: -67.195977
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -203.553727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.553727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.553727 (E_RNA)
where:
Base-Base interactions energy: -130.265
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.085
local terms energy: -73.203285
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -11.390
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: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -188.333708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.333708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.333708 (E_RNA)
where:
Base-Base interactions energy: -124.094
where: short stacking energy: -50.234
Base-Backbone interact. energy: -1.035
local terms energy: -63.205377
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -95.776024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.776024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.776024 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.082
local terms energy: -62.068613
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -91.263876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.263876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.263876 (E_RNA)
where:
Base-Base interactions energy: -35.361
where: short stacking energy: -35.361
Base-Backbone interact. energy: -0.022
local terms energy: -55.880810
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -7.125
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -123.226641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.226641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.226641 (E_RNA)
where:
Base-Base interactions energy: -69.759
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.554
local terms energy: -52.913441
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -4.264
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: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -88.185943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.185943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.185943 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.022
local terms energy: -50.826906
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.734525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734525 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -15.826
Base-Backbone interact. energy: -0.256
local terms energy: -44.616925
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: 1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -235.426091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.426091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.426091 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.149
local terms energy: -71.696639
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -13.803
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: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -229.093367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.093367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.093367 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -67.899
Base-Backbone interact. energy: 0.555
local terms energy: -63.660516
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -208.970310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.970310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.970310 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.006
local terms energy: -67.752072
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -203.489058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.489058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.489058 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.052
local terms energy: -65.788416
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -185.329845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.329845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.329845 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -54.301
Base-Backbone interact. energy: -1.030
local terms energy: -65.399687
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -107.656686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.656686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.656686 (E_RNA)
where:
Base-Base interactions energy: -57.305
where: short stacking energy: -43.099
Base-Backbone interact. energy: -0.181
local terms energy: -50.171255
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -1.798
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: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -80.560287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.560287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.560287 (E_RNA)
where:
Base-Base interactions energy: -30.361
where: short stacking energy: -24.012
Base-Backbone interact. energy: -0.244
local terms energy: -49.955131
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: 1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -77.247858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.247858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.247858 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.338
local terms energy: -50.859378
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -81.660399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.660399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.660399 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -27.804
Base-Backbone interact. energy: -0.153
local terms energy: -48.695740
where:
bonds (distance) C4'-P energy: -6.178
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -78.461666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.461666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.461666 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.124
local terms energy: -52.184914
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.500
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: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -231.132700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.132700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.132700 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.281
local terms energy: -74.778163
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.834
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: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -220.913529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.913529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.913529 (E_RNA)
where:
Base-Base interactions energy: -149.478
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.222
local terms energy: -71.213651
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -19.549
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: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -222.723167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.723167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.723167 (E_RNA)
where:
Base-Base interactions energy: -147.614
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.554
local terms energy: -74.555245
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -200.997129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997129 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.005
local terms energy: -60.562061
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -193.793112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.793112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.793112 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -56.278
Base-Backbone interact. energy: -0.044
local terms energy: -63.133208
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -102.047039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.047039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.047039 (E_RNA)
where:
Base-Base interactions energy: -47.484
where: short stacking energy: -32.968
Base-Backbone interact. energy: -0.620
local terms energy: -53.943829
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -112.658101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.658101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.658101 (E_RNA)
where:
Base-Base interactions energy: -59.439
where: short stacking energy: -35.694
Base-Backbone interact. energy: 0.505
local terms energy: -53.723175
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -83.426544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.426544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.426544 (E_RNA)
where:
Base-Base interactions energy: -43.948
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.738
local terms energy: -38.740378
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: 4.500
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: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -74.856344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.856344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.856344 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.242
local terms energy: -49.229588
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -76.828996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.828996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.828996 (E_RNA)
where:
Base-Base interactions energy: -22.596
where: short stacking energy: -22.596
Base-Backbone interact. energy: -0.175
local terms energy: -54.058175
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -229.246922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.246922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.246922 (E_RNA)
where:
Base-Base interactions energy: -152.289
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.466
local terms energy: -76.491591
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.873
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -220.151749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151749 (E_RNA)
where:
Base-Base interactions energy: -145.436
where: short stacking energy: -71.350
Base-Backbone interact. energy: 0.501
local terms energy: -75.217105
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -16.305
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: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -201.050551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.050551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.050551 (E_RNA)
where:
Base-Base interactions energy: -133.508
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.056
local terms energy: -67.486347
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -16.548
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: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -211.239032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.239032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.239032 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.014
local terms energy: -69.261842
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.524
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: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -196.039138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.039138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.039138 (E_RNA)
where:
Base-Base interactions energy: -135.738
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.263
local terms energy: -60.038415
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -5.702
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: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -100.475751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.475751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.475751 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -27.832
Base-Backbone interact. energy: 0.553
local terms energy: -55.884087
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -90.491233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.491233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.491233 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -37.938
Base-Backbone interact. energy: -0.228
local terms energy: -50.232905
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -129.424874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.424874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.424874 (E_RNA)
where:
Base-Base interactions energy: -72.057
where: short stacking energy: -45.820
Base-Backbone interact. energy: -0.102
local terms energy: -57.266258
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.162
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: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -85.823825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823825 (E_RNA)
where:
Base-Base interactions energy: -37.441
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.416
local terms energy: -47.966458
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -77.440653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440653 (E_RNA)
where:
Base-Base interactions energy: -27.686
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.329
local terms energy: -49.425337
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -227.251932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.251932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.251932 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.667
local terms energy: -68.527016
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -217.990274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990274 (E_RNA)
where:
Base-Base interactions energy: -148.655
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.026
local terms energy: -69.309278
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -203.086736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.086736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086736 (E_RNA)
where:
Base-Base interactions energy: -139.592
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.185
local terms energy: -63.309839
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.179
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: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -219.630044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.630044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.630044 (E_RNA)
where:
Base-Base interactions energy: -144.172
where: short stacking energy: -54.919
Base-Backbone interact. energy: -0.318
local terms energy: -75.140102
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -197.015846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.015846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.015846 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.700
local terms energy: -67.292456
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -114.080311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.080311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.080311 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.019
local terms energy: -63.610827
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -97.127693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.127693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.127693 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -35.462
Base-Backbone interact. energy: -0.180
local terms energy: -61.485796
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -103.398706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.398706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.398706 (E_RNA)
where:
Base-Base interactions energy: -51.139
where: short stacking energy: -37.824
Base-Backbone interact. energy: -0.033
local terms energy: -52.226426
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -5.677
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -88.484621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484621 (E_RNA)
where:
Base-Base interactions energy: -32.700
where: short stacking energy: -32.700
Base-Backbone interact. energy: -0.323
local terms energy: -55.462372
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -91.093930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093930 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -37.673
Base-Backbone interact. energy: 0.086
local terms energy: -51.132557
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -224.593802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593802 (E_RNA)
where:
Base-Base interactions energy: -153.419
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.004
local terms energy: -71.171201
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -231.035735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.035735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.035735 (E_RNA)
where:
Base-Base interactions energy: -159.845
where: short stacking energy: -62.605
Base-Backbone interact. energy: -1.407
local terms energy: -69.783391
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -215.870840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.870840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.870840 (E_RNA)
where:
Base-Base interactions energy: -156.467
where: short stacking energy: -66.011
Base-Backbone interact. energy: -0.210
local terms energy: -59.193992
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -3.462
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: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -187.081888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.081888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.081888 (E_RNA)
where:
Base-Base interactions energy: -117.234
where: short stacking energy: -55.155
Base-Backbone interact. energy: -0.626
local terms energy: -69.222042
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -14.995
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: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -206.236162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.236162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.236162 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -51.964
Base-Backbone interact. energy: 0.697
local terms energy: -62.675002
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -93.208569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208569 (E_RNA)
where:
Base-Base interactions energy: -39.996
where: short stacking energy: -37.702
Base-Backbone interact. energy: 0.436
local terms energy: -53.648839
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -102.415808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.415808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.415808 (E_RNA)
where:
Base-Base interactions energy: -52.299
where: short stacking energy: -36.704
Base-Backbone interact. energy: 0.320
local terms energy: -50.436541
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -1.001
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: 400
Temperature: 1.250000
Total energy: -84.301129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301129 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -33.038
Base-Backbone interact. energy: 1.211
local terms energy: -52.474598
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -8.487
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -83.181594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181594 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.204
local terms energy: -41.689079
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -8.014
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -90.063801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063801 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.121
local terms energy: -55.224098
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -229.161701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.161701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.161701 (E_RNA)
where:
Base-Base interactions energy: -152.088
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.009
local terms energy: -77.065104
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.492
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -227.849203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.849203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.849203 (E_RNA)
where:
Base-Base interactions energy: -156.499
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.153
local terms energy: -71.196440
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.284
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: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -231.179436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.179436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.179436 (E_RNA)
where:
Base-Base interactions energy: -164.435
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.105
local terms energy: -66.639338
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -6.374
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -187.117277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.117277 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -53.452
Base-Backbone interact. energy: 1.491
local terms energy: -58.044095
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -182.181548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.181548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.181548 (E_RNA)
where:
Base-Base interactions energy: -114.617
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.440
local terms energy: -67.123964
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -113.336039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.336039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.336039 (E_RNA)
where:
Base-Base interactions energy: -52.615
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.034
local terms energy: -60.687007
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -102.133758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.133758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.133758 (E_RNA)
where:
Base-Base interactions energy: -46.156
where: short stacking energy: -35.819
Base-Backbone interact. energy: -0.063
local terms energy: -55.914483
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -84.533637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.533637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.533637 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -33.712
Base-Backbone interact. energy: 0.143
local terms energy: -48.211390
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -80.229331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.229331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.229331 (E_RNA)
where:
Base-Base interactions energy: -27.086
where: short stacking energy: -11.327
Base-Backbone interact. energy: -0.520
local terms energy: -52.623410
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -73.695594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.695594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.695594 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.116
local terms energy: -45.390829
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -7.736
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: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -228.769925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.769925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.769925 (E_RNA)
where:
Base-Base interactions energy: -161.786
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.214
local terms energy: -66.770337
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -230.042566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.042566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.042566 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.008
local terms energy: -76.817287
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -198.388178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.388178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.388178 (E_RNA)
where:
Base-Base interactions energy: -127.019
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.002
local terms energy: -71.368105
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -213.454690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.454690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.454690 (E_RNA)
where:
Base-Base interactions energy: -144.986
where: short stacking energy: -52.872
Base-Backbone interact. energy: -0.147
local terms energy: -68.321355
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.029
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: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -189.146807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.146807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146807 (E_RNA)
where:
Base-Base interactions energy: -116.824
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.785
local terms energy: -71.537905
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.362
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: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -95.817130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817130 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -31.924
Base-Backbone interact. energy: 2.265
local terms energy: -65.046600
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -84.567071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.567071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.567071 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.245
local terms energy: -54.659765
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -97.202152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.202152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.202152 (E_RNA)
where:
Base-Base interactions energy: -43.491
where: short stacking energy: -33.224
Base-Backbone interact. energy: -1.093
local terms energy: -52.617805
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -89.747422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.747422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.747422 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -39.015
Base-Backbone interact. energy: -0.091
local terms energy: -50.641235
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -4.201
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: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -81.840222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.840222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.840222 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.340
local terms energy: -47.876163
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -229.739241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.739241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.739241 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.197
local terms energy: -67.642339
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -221.419652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419652 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.039
local terms energy: -72.466665
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -213.979219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.979219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.979219 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.623
local terms energy: -71.167943
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.520
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: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -197.944881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.944881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.944881 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.047
local terms energy: -68.761495
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -207.039021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.039021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.039021 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.245
local terms energy: -63.083166
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -96.867347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.867347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.867347 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.685
local terms energy: -50.317312
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -125.285549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.285549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.285549 (E_RNA)
where:
Base-Base interactions energy: -72.580
where: short stacking energy: -36.100
Base-Backbone interact. energy: -0.313
local terms energy: -52.392485
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -99.229649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.229649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.229649 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.106
local terms energy: -62.133153
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -9.015
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: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.957145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.957145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.957145 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.041
local terms energy: -50.467800
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -2.944
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -75.833941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.833941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.833941 (E_RNA)
where:
Base-Base interactions energy: -29.656
where: short stacking energy: -29.656
Base-Backbone interact. energy: 0.301
local terms energy: -46.479385
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -228.809813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.809813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.809813 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -71.960
Base-Backbone interact. energy: -0.131
local terms energy: -81.795367
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -226.499505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.499505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.499505 (E_RNA)
where:
Base-Base interactions energy: -157.861
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.410
local terms energy: -68.228667
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -212.460498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460498 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.060
local terms energy: -65.382997
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -200.630712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.630712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.630712 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -55.814
Base-Backbone interact. energy: -0.046
local terms energy: -64.153656
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -206.153533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153533 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.591
local terms energy: -64.533600
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -92.154985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.154985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.154985 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -44.510
Base-Backbone interact. energy: -0.068
local terms energy: -47.577678
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -5.388
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: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -122.561058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.561058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.561058 (E_RNA)
where:
Base-Base interactions energy: -73.062
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.124
local terms energy: -49.375545
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -6.322
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: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -80.091057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.091057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.091057 (E_RNA)
where:
Base-Base interactions energy: -27.828
where: short stacking energy: -12.566
Base-Backbone interact. energy: -0.321
local terms energy: -51.942007
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -76.734415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734415 (E_RNA)
where:
Base-Base interactions energy: -28.123
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.385
local terms energy: -48.226985
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -82.227184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227184 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -28.177
Base-Backbone interact. energy: 0.019
local terms energy: -53.476463
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -220.920802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.920802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920802 (E_RNA)
where:
Base-Base interactions energy: -137.233
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.029
local terms energy: -83.658467
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.738
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: 405
Temperature: 0.950000
Total energy: -211.071757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.071757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.071757 (E_RNA)
where:
Base-Base interactions energy: -142.228
where: short stacking energy: -71.191
Base-Backbone interact. energy: 0.166
local terms energy: -69.010310
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -14.297
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -224.948231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.948231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948231 (E_RNA)
where:
Base-Base interactions energy: -158.221
where: short stacking energy: -59.562
Base-Backbone interact. energy: 2.306
local terms energy: -69.032571
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -206.506285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.506285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.506285 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -64.928
Base-Backbone interact. energy: 0.435
local terms energy: -71.928727
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -188.542393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.542393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.542393 (E_RNA)
where:
Base-Base interactions energy: -120.451
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.097
local terms energy: -67.994031
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -10.774
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: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -134.497668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.497668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.497668 (E_RNA)
where:
Base-Base interactions energy: -77.997
where: short stacking energy: -40.288
Base-Backbone interact. energy: -0.515
local terms energy: -55.985144
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -4.711
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: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -92.757617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.757617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.757617 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -27.027
Base-Backbone interact. energy: 1.663
local terms energy: -53.338911
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -84.847121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847121 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.171
local terms energy: -52.202439
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -1.479
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: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -96.929607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929607 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -21.931
Base-Backbone interact. energy: 3.172
local terms energy: -52.434105
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: 0.376
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: 405
Temperature: 1.350000
Total energy: -73.726720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.726720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.726720 (E_RNA)
where:
Base-Base interactions energy: -28.099
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.127
local terms energy: -45.500506
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -219.665951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.665951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.665951 (E_RNA)
where:
Base-Base interactions energy: -146.603
where: short stacking energy: -67.950
Base-Backbone interact. energy: -0.226
local terms energy: -72.837175
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -219.353507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.353507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.353507 (E_RNA)
where:
Base-Base interactions energy: -144.803
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.011
local terms energy: -74.539394
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -223.589313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.589313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589313 (E_RNA)
where:
Base-Base interactions energy: -154.583
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.216
local terms energy: -68.789856
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -213.480601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480601 (E_RNA)
where:
Base-Base interactions energy: -149.996
where: short stacking energy: -55.753
Base-Backbone interact. energy: -0.138
local terms energy: -63.345736
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -188.643160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.643160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.643160 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.015
local terms energy: -66.983773
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -186.651413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.651413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.651413 (E_RNA)
where:
Base-Base interactions energy: -130.070
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.140
local terms energy: -56.441872
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -97.198506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198506 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.091
local terms energy: -65.099386
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -86.126760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.126760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.126760 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.133
local terms energy: -56.844348
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -84.129285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.129285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.129285 (E_RNA)
where:
Base-Base interactions energy: -39.209
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.065
local terms energy: -44.854850
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -75.958951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958951 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -24.123
Base-Backbone interact. energy: -1.134
local terms energy: -44.126215
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -220.023292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.023292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.023292 (E_RNA)
where:
Base-Base interactions energy: -155.807
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.267
local terms energy: -63.950091
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -6.074
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -227.256228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.256228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.256228 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -77.010
Base-Backbone interact. energy: 0.298
local terms energy: -72.865475
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -214.758239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.758239 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -64.930
Base-Backbone interact. energy: 0.372
local terms energy: -77.122379
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -209.996636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.996636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.996636 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.587
local terms energy: -60.855717
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -195.113328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113328 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -62.594
Base-Backbone interact. energy: 1.119
local terms energy: -76.015481
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -102.878122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.878122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.878122 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.009
local terms energy: -69.381311
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -175.303337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.303337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.303337 (E_RNA)
where:
Base-Base interactions energy: -114.888
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.106
local terms energy: -60.308849
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -95.194766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.194766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.194766 (E_RNA)
where:
Base-Base interactions energy: -45.669
where: short stacking energy: -39.426
Base-Backbone interact. energy: 0.420
local terms energy: -49.945514
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -4.855
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: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -74.403308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.403308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.403308 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.203
local terms energy: -36.840739
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -80.401529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401529 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -36.633
Base-Backbone interact. energy: -0.470
local terms energy: -36.357531
where:
bonds (distance) C4'-P energy: -6.198
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -5.168
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: 408
Temperature: 0.900000
Total energy: -217.332849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.332849 (E_RNA)
where:
Base-Base interactions energy: -149.570
where: short stacking energy: -62.617
Base-Backbone interact. energy: -0.276
local terms energy: -67.487135
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -214.310113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.310113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.310113 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.004
local terms energy: -63.197957
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -212.831657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.831657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.831657 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.197
local terms energy: -70.320678
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -220.164881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.164881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.164881 (E_RNA)
where:
Base-Base interactions energy: -153.666
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.453
local terms energy: -66.046019
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.952
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -187.837660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.837660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.837660 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -52.993
Base-Backbone interact. energy: -0.061
local terms energy: -61.316638
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -94.635102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.635102 (E_RNA)
where:
Base-Base interactions energy: -41.635
where: short stacking energy: -31.436
Base-Backbone interact. energy: 0.814
local terms energy: -53.814285
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -184.862587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.862587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862587 (E_RNA)
where:
Base-Base interactions energy: -121.046
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.026
local terms energy: -63.790995
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -10.586
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: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -80.473179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.473179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.473179 (E_RNA)
where:
Base-Base interactions energy: -21.733
where: short stacking energy: -20.090
Base-Backbone interact. energy: -0.490
local terms energy: -58.250308
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -89.460466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.460466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.460466 (E_RNA)
where:
Base-Base interactions energy: -38.434
where: short stacking energy: -33.222
Base-Backbone interact. energy: 3.415
local terms energy: -54.441424
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -124.002127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.002127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.002127 (E_RNA)
where:
Base-Base interactions energy: -66.661
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.017
local terms energy: -57.323758
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -221.291154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.291154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.291154 (E_RNA)
where:
Base-Base interactions energy: -146.027
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.119
local terms energy: -75.145421
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -218.301489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.301489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.301489 (E_RNA)
where:
Base-Base interactions energy: -149.338
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.291
local terms energy: -68.671857
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -208.404199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.404199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.404199 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.004
local terms energy: -59.835616
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -203.995399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995399 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -66.232
Base-Backbone interact. energy: 0.665
local terms energy: -72.699456
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -217.014442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014442 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -59.960
Base-Backbone interact. energy: 0.438
local terms energy: -75.121438
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -161.833318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.833318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.833318 (E_RNA)
where:
Base-Base interactions energy: -111.923
where: short stacking energy: -42.340
Base-Backbone interact. energy: -1.223
local terms energy: -48.686836
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -90.398961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.398961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.398961 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -35.267
Base-Backbone interact. energy: 0.402
local terms energy: -56.023069
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -93.616994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616994 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.348
local terms energy: -54.861166
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -87.658004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.658004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.658004 (E_RNA)
where:
Base-Base interactions energy: -41.814
where: short stacking energy: -37.595
Base-Backbone interact. energy: -0.142
local terms energy: -45.701935
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -79.791375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.791375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.791375 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -25.291
Base-Backbone interact. energy: 0.109
local terms energy: -47.820410
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -199.970433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.970433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.970433 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -62.204
Base-Backbone interact. energy: 0.345
local terms energy: -66.147929
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -14.147
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: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -212.711265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.711265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.711265 (E_RNA)
where:
Base-Base interactions energy: -152.338
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.364
local terms energy: -60.008874
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -205.764232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.764232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.764232 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.004
local terms energy: -64.979722
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.527
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: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -190.228763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.228763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.228763 (E_RNA)
where:
Base-Base interactions energy: -126.764
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.147
local terms energy: -63.317831
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -15.690
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -188.652207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.652207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.652207 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -67.779
Base-Backbone interact. energy: 2.954
local terms energy: -59.853245
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -16.520
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -199.464255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.464255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.464255 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -54.636
Base-Backbone interact. energy: -0.173
local terms energy: -62.732797
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.623
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: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -85.237297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.237297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.237297 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -27.985
Base-Backbone interact. energy: -0.235
local terms energy: -49.264757
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -81.305293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.305293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.305293 (E_RNA)
where:
Base-Base interactions energy: -34.612
where: short stacking energy: -34.612
Base-Backbone interact. energy: -0.116
local terms energy: -46.577490
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -95.513961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513961 (E_RNA)
where:
Base-Base interactions energy: -44.269
where: short stacking energy: -44.251
Base-Backbone interact. energy: -0.003
local terms energy: -51.242310
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.638006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.638006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.638006 (E_RNA)
where:
Base-Base interactions energy: -27.152
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.064
local terms energy: -50.422232
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -209.263838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.263838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.263838 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.303
local terms energy: -68.255059
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -199.122261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.122261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.122261 (E_RNA)
where:
Base-Base interactions energy: -128.180
where: short stacking energy: -60.948
Base-Backbone interact. energy: -1.544
local terms energy: -69.399009
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -204.865929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.865929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.865929 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.088
local terms energy: -67.723626
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.724
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: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -203.077580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.077580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.077580 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -58.409
Base-Backbone interact. energy: 2.253
local terms energy: -64.710191
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -184.291389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.291389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.291389 (E_RNA)
where:
Base-Base interactions energy: -124.143
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.162
local terms energy: -59.986607
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -197.259345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.259345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259345 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -59.499
Base-Backbone interact. energy: 1.630
local terms energy: -65.830838
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -100.330739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.330739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.330739 (E_RNA)
where:
Base-Base interactions energy: -41.432
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.034
local terms energy: -58.864911
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -6.503
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: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -84.040597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040597 (E_RNA)
where:
Base-Base interactions energy: -25.458
where: short stacking energy: -25.458
Base-Backbone interact. energy: 0.360
local terms energy: -58.942121
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.985
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: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -89.638824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638824 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -35.651
Base-Backbone interact. energy: 2.301
local terms energy: -55.132923
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -78.370750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.370750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.370750 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.286
local terms energy: -44.029931
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -215.274483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.274483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.274483 (E_RNA)
where:
Base-Base interactions energy: -141.180
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.288
local terms energy: -73.806448
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -221.647658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.647658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.647658 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -58.354
Base-Backbone interact. energy: -1.652
local terms energy: -69.459009
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -14.195
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: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -209.124663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124663 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.011
local terms energy: -65.683871
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -211.361453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.361453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.361453 (E_RNA)
where:
Base-Base interactions energy: -139.558
where: short stacking energy: -67.893
Base-Backbone interact. energy: 0.417
local terms energy: -72.220053
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -178.402882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402882 (E_RNA)
where:
Base-Base interactions energy: -116.172
where: short stacking energy: -40.014
Base-Backbone interact. energy: -0.536
local terms energy: -61.695041
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -172.093291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.093291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.093291 (E_RNA)
where:
Base-Base interactions energy: -114.443
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.497
local terms energy: -57.153329
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -94.967863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.967863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.967863 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.013
local terms energy: -54.914094
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -4.834
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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -86.464681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.464681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.464681 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -31.466
Base-Backbone interact. energy: -1.497
local terms energy: -48.665965
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.139094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139094 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.273
local terms energy: -50.108508
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -75.458051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.458051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.458051 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.125
local terms energy: -41.892407
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -2.665
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: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -208.430990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.430990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.430990 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.021
local terms energy: -75.024733
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -11.194
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: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -210.643355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643355 (E_RNA)
where:
Base-Base interactions energy: -136.382
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.018
local terms energy: -74.242596
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.832
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: 413
Temperature: 1.000000
Total energy: -203.821772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.821772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.821772 (E_RNA)
where:
Base-Base interactions energy: -134.654
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.051
local terms energy: -69.116372
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -208.880124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.880124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.880124 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -61.554
Base-Backbone interact. energy: 0.980
local terms energy: -72.014037
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -16.672
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: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -214.262514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262514 (E_RNA)
where:
Base-Base interactions energy: -153.455
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.336
local terms energy: -60.472209
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -5.507
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: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -91.169666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.169666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.169666 (E_RNA)
where:
Base-Base interactions energy: -28.982
where: short stacking energy: -26.636
Base-Backbone interact. energy: -0.124
local terms energy: -62.064320
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.912
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: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -170.140637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.140637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.140637 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.019
local terms energy: -61.820389
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.817
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: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -83.403854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403854 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -33.170
Base-Backbone interact. energy: -0.146
local terms energy: -43.654274
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -5.338
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: 413
Temperature: 1.300000
Total energy: -84.031055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.031055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.031055 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -33.372
Base-Backbone interact. energy: -0.077
local terms energy: -50.582671
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: 0.621
tors. eta vs tors. theta energy: -10.012
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: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -96.887118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.887118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.887118 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.334
local terms energy: -56.776341
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -217.260210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.260210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.260210 (E_RNA)
where:
Base-Base interactions energy: -147.654
where: short stacking energy: -66.534
Base-Backbone interact. energy: 0.208
local terms energy: -69.813659
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -221.766288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.766288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766288 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.004
local terms energy: -72.656353
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -207.352873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.352873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.352873 (E_RNA)
where:
Base-Base interactions energy: -142.063
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.045
local terms energy: -65.244798
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -206.269494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.269494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.269494 (E_RNA)
where:
Base-Base interactions energy: -138.787
where: short stacking energy: -59.927
Base-Backbone interact. energy: 0.028
local terms energy: -67.510779
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -216.728517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.728517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.728517 (E_RNA)
where:
Base-Base interactions energy: -149.496
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.115
local terms energy: -67.117751
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -19.012
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: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -93.936689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.936689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.936689 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.282
local terms energy: -56.402978
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -9.195
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: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -90.359326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359326 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.080
local terms energy: -56.370760
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.924
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -172.124191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124191 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -62.789
Base-Backbone interact. energy: 0.864
local terms energy: -61.534278
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -84.165423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.165423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.165423 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.030
local terms energy: -47.166695
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -74.005552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.005552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.005552 (E_RNA)
where:
Base-Base interactions energy: -25.249
where: short stacking energy: -25.249
Base-Backbone interact. energy: -0.130
local terms energy: -48.626884
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -216.754128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.754128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.754128 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.348
local terms energy: -70.496746
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -214.666635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.666635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.666635 (E_RNA)
where:
Base-Base interactions energy: -144.524
where: short stacking energy: -66.296
Base-Backbone interact. energy: -0.130
local terms energy: -70.012737
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -194.417517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.417517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.417517 (E_RNA)
where:
Base-Base interactions energy: -125.643
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.195
local terms energy: -68.579248
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -209.246699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.246699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246699 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -60.941
Base-Backbone interact. energy: 5.332
local terms energy: -65.946460
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -194.773689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.773689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.773689 (E_RNA)
where:
Base-Base interactions energy: -121.670
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.022
local terms energy: -73.081708
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -86.727928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.727928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.727928 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.055
local terms energy: -44.086516
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -7.105
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: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -90.310385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310385 (E_RNA)
where:
Base-Base interactions energy: -43.424
where: short stacking energy: -39.211
Base-Backbone interact. energy: -0.154
local terms energy: -46.732247
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -0.484
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -151.076565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.076565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.076565 (E_RNA)
where:
Base-Base interactions energy: -95.264
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.097
local terms energy: -55.716236
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -88.871967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.871967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.871967 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.052
local terms energy: -50.196002
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -75.438666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438666 (E_RNA)
where:
Base-Base interactions energy: -17.647
where: short stacking energy: -12.694
Base-Backbone interact. energy: 1.902
local terms energy: -59.693484
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -220.175453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.175453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.175453 (E_RNA)
where:
Base-Base interactions energy: -148.319
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.078
local terms energy: -71.778846
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -211.164974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.164974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.164974 (E_RNA)
where:
Base-Base interactions energy: -140.348
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.013
local terms energy: -70.804027
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -209.940543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.940543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940543 (E_RNA)
where:
Base-Base interactions energy: -144.957
where: short stacking energy: -63.454
Base-Backbone interact. energy: 0.919
local terms energy: -65.903134
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -198.788648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.788648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.788648 (E_RNA)
where:
Base-Base interactions energy: -134.006
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.003
local terms energy: -64.779749
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -195.968742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968742 (E_RNA)
where:
Base-Base interactions energy: -131.077
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.062
local terms energy: -64.829204
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -99.393301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.393301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.393301 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.300
local terms energy: -54.579692
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -9.859
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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -161.664494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.664494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.664494 (E_RNA)
where:
Base-Base interactions energy: -97.377
where: short stacking energy: -50.276
Base-Backbone interact. energy: 0.234
local terms energy: -64.521322
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.644
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: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -93.585462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585462 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -39.111
Base-Backbone interact. energy: 0.344
local terms energy: -55.019142
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -78.520860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.520860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.520860 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -24.903
Base-Backbone interact. energy: -1.450
local terms energy: -52.167559
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -80.196188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.196188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.196188 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -20.339
Base-Backbone interact. energy: -0.156
local terms energy: -38.334705
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -6.896
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -222.937043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.937043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.937043 (E_RNA)
where:
Base-Base interactions energy: -149.581
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.003
local terms energy: -73.353374
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -214.831482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.831482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.831482 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -66.807
Base-Backbone interact. energy: -0.046
local terms energy: -68.361250
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -8.568
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: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -209.911467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.911467 (E_RNA)
where:
Base-Base interactions energy: -137.315
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.139
local terms energy: -72.456932
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -12.083
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: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -208.453696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.453696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.453696 (E_RNA)
where:
Base-Base interactions energy: -140.032
where: short stacking energy: -65.197
Base-Backbone interact. energy: 0.376
local terms energy: -68.797527
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.273
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -189.775424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.775424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.775424 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -53.210
Base-Backbone interact. energy: -1.141
local terms energy: -71.000134
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -180.694411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.694411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.694411 (E_RNA)
where:
Base-Base interactions energy: -121.038
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.035
local terms energy: -59.621003
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -104.155495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.155495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.155495 (E_RNA)
where:
Base-Base interactions energy: -57.654
where: short stacking energy: -46.312
Base-Backbone interact. energy: -0.204
local terms energy: -46.297342
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -89.511631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.511631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.511631 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -36.684
Base-Backbone interact. energy: 0.505
local terms energy: -48.927147
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -8.662
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: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -87.340096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340096 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -21.757
Base-Backbone interact. energy: 0.122
local terms energy: -51.183168
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -98.537334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.537334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.537334 (E_RNA)
where:
Base-Base interactions energy: -50.754
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.288
local terms energy: -47.495371
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -219.121551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121551 (E_RNA)
where:
Base-Base interactions energy: -142.878
where: short stacking energy: -77.462
Base-Backbone interact. energy: -0.022
local terms energy: -76.221625
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -21.742
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: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -216.750920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.750920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750920 (E_RNA)
where:
Base-Base interactions energy: -141.162
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.078
local terms energy: -75.510345
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -215.314999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.314999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.314999 (E_RNA)
where:
Base-Base interactions energy: -141.413
where: short stacking energy: -62.148
Base-Backbone interact. energy: 1.585
local terms energy: -75.487165
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -16.005
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: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -194.544865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.544865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.544865 (E_RNA)
where:
Base-Base interactions energy: -132.987
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.119
local terms energy: -61.438548
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -199.927701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.927701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.927701 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.079
local terms energy: -70.561194
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.567
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: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -179.681611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.681611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.681611 (E_RNA)
where:
Base-Base interactions energy: -115.244
where: short stacking energy: -58.225
Base-Backbone interact. energy: -0.372
local terms energy: -64.065722
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -96.378208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.378208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.378208 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.188
local terms energy: -48.661540
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -84.488476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488476 (E_RNA)
where:
Base-Base interactions energy: -37.354
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.069
local terms energy: -47.065214
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -85.576940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.576940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.576940 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.071
local terms energy: -49.800393
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -8.268
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -76.940588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.940588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.940588 (E_RNA)
where:
Base-Base interactions energy: -25.589
where: short stacking energy: -24.528
Base-Backbone interact. energy: 1.538
local terms energy: -52.889805
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -215.831394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.831394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.831394 (E_RNA)
where:
Base-Base interactions energy: -134.346
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.080
local terms energy: -81.404785
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -214.578537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.578537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.578537 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.000
local terms energy: -74.159573
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.867
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -214.473050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.473050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.473050 (E_RNA)
where:
Base-Base interactions energy: -153.847
where: short stacking energy: -63.394
Base-Backbone interact. energy: 1.598
local terms energy: -62.224110
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -192.044176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.044176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.044176 (E_RNA)
where:
Base-Base interactions energy: -120.718
where: short stacking energy: -69.062
Base-Backbone interact. energy: -0.084
local terms energy: -71.241709
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -204.542577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.542577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.542577 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -72.318
Base-Backbone interact. energy: 0.908
local terms energy: -71.703908
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.043
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: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -174.516945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.516945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.516945 (E_RNA)
where:
Base-Base interactions energy: -114.300
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.254
local terms energy: -59.963031
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -112.445509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.445509 (E_RNA)
where:
Base-Base interactions energy: -52.300
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.116
local terms energy: -60.029949
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -88.294696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294696 (E_RNA)
where:
Base-Base interactions energy: -34.524
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.050
local terms energy: -53.720604
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -8.753
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -94.844532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.844532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.844532 (E_RNA)
where:
Base-Base interactions energy: -42.630
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.225
local terms energy: -51.990144
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -76.759095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.759095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.759095 (E_RNA)
where:
Base-Base interactions energy: -31.365
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.356
local terms energy: -45.038153
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -0.684
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: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -223.844886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.844886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.844886 (E_RNA)
where:
Base-Base interactions energy: -153.539
where: short stacking energy: -70.433
Base-Backbone interact. energy: -0.098
local terms energy: -70.208267
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -209.449661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.449661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.449661 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.121
local terms energy: -69.798975
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -206.993340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.993340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.993340 (E_RNA)
where:
Base-Base interactions energy: -142.906
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.022
local terms energy: -64.064879
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -190.692923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.692923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.692923 (E_RNA)
where:
Base-Base interactions energy: -120.023
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.002
local terms energy: -70.668560
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -190.377815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.377815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.377815 (E_RNA)
where:
Base-Base interactions energy: -121.147
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.158
local terms energy: -69.072043
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -18.159
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: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -185.902943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.902943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.902943 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.274
local terms energy: -60.525432
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -92.606627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.606627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.606627 (E_RNA)
where:
Base-Base interactions energy: -40.170
where: short stacking energy: -39.194
Base-Backbone interact. energy: 2.802
local terms energy: -55.239409
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -87.662731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662731 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.170
local terms energy: -52.690033
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.143
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: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -82.819468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819468 (E_RNA)
where:
Base-Base interactions energy: -27.639
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.222
local terms energy: -54.958035
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -2.712
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: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -83.291980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291980 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -23.003
Base-Backbone interact. energy: 1.501
local terms energy: -53.407349
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -8.455
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: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -222.894005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.894005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.894005 (E_RNA)
where:
Base-Base interactions energy: -149.731
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.035
local terms energy: -73.128528
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -218.020156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.020156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.020156 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.344
local terms energy: -72.838086
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.187
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -210.865446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.865446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.865446 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.136
local terms energy: -65.826166
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -190.458945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.458945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.458945 (E_RNA)
where:
Base-Base interactions energy: -124.310
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.095
local terms energy: -66.053448
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -193.432905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.432905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.432905 (E_RNA)
where:
Base-Base interactions energy: -125.850
where: short stacking energy: -60.591
Base-Backbone interact. energy: 0.014
local terms energy: -67.596411
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -183.845074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.845074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.845074 (E_RNA)
where:
Base-Base interactions energy: -122.879
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.006
local terms energy: -60.959760
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -99.985553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985553 (E_RNA)
where:
Base-Base interactions energy: -47.195
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.709
local terms energy: -52.081354
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -11.273
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: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.348107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.348107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.348107 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -23.106
Base-Backbone interact. energy: 1.390
local terms energy: -55.065930
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -97.231192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.231192 (E_RNA)
where:
Base-Base interactions energy: -52.232
where: short stacking energy: -20.776
Base-Backbone interact. energy: -0.078
local terms energy: -44.921309
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -84.102769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102769 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -27.284
Base-Backbone interact. energy: -0.087
local terms energy: -54.871208
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -5.027
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: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -224.411014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.411014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.411014 (E_RNA)
where:
Base-Base interactions energy: -150.377
where: short stacking energy: -75.918
Base-Backbone interact. energy: -0.002
local terms energy: -74.031680
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -208.826499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.826499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.826499 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.028
local terms energy: -68.785759
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.251
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: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -201.655073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655073 (E_RNA)
where:
Base-Base interactions energy: -140.038
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.072
local terms energy: -61.545287
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -202.396549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.396549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.396549 (E_RNA)
where:
Base-Base interactions energy: -138.034
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.106
local terms energy: -64.256122
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -191.685701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.685701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.685701 (E_RNA)
where:
Base-Base interactions energy: -121.931
where: short stacking energy: -50.620
Base-Backbone interact. energy: -1.169
local terms energy: -68.585967
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -186.308804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.308804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.308804 (E_RNA)
where:
Base-Base interactions energy: -125.719
where: short stacking energy: -51.001
Base-Backbone interact. energy: -0.194
local terms energy: -60.396387
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -94.472658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.472658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.472658 (E_RNA)
where:
Base-Base interactions energy: -42.925
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.097
local terms energy: -51.450907
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -87.618354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.618354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.618354 (E_RNA)
where:
Base-Base interactions energy: -38.650
where: short stacking energy: -31.586
Base-Backbone interact. energy: 1.424
local terms energy: -50.392119
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -6.979
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: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -109.233667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.233667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.233667 (E_RNA)
where:
Base-Base interactions energy: -52.476
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.091
local terms energy: -56.666688
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -76.199712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.199712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.199712 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -29.554
Base-Backbone interact. energy: -0.331
local terms energy: -43.051012
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -224.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.649270 (E_RNA)
where:
Base-Base interactions energy: -146.614
where: short stacking energy: -75.823
Base-Backbone interact. energy: -0.093
local terms energy: -77.942823
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -218.973347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.973347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.973347 (E_RNA)
where:
Base-Base interactions energy: -153.032
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.273
local terms energy: -65.668294
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.201
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: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -201.757089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.757089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.757089 (E_RNA)
where:
Base-Base interactions energy: -133.307
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.142
local terms energy: -68.308175
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -201.689236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.689236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.689236 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.008
local terms energy: -70.304580
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -183.518710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.518710 (E_RNA)
where:
Base-Base interactions energy: -119.636
where: short stacking energy: -45.626
Base-Backbone interact. energy: 0.184
local terms energy: -64.067087
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -186.932832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.932832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.932832 (E_RNA)
where:
Base-Base interactions energy: -127.812
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.419
local terms energy: -58.702538
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -110.327084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.327084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.327084 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -28.571
Base-Backbone interact. energy: -1.151
local terms energy: -65.753583
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -118.204185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.204185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.204185 (E_RNA)
where:
Base-Base interactions energy: -76.773
where: short stacking energy: -30.463
Base-Backbone interact. energy: -0.834
local terms energy: -40.597036
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -90.251156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.251156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.251156 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -36.966
Base-Backbone interact. energy: -0.285
local terms energy: -47.910776
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -7.806
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: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -76.560502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560502 (E_RNA)
where:
Base-Base interactions energy: -28.955
where: short stacking energy: -28.955
Base-Backbone interact. energy: 0.647
local terms energy: -48.252949
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -4.316
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.518
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: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -230.047824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.047824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.047824 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.160
local terms energy: -77.406260
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -218.535078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.535078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.535078 (E_RNA)
where:
Base-Base interactions energy: -148.533
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.044
local terms energy: -69.958129
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -196.494998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494998 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.007
local terms energy: -75.901718
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -213.905166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.905166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.905166 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.165
local terms energy: -70.489874
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -12.518
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -188.064811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.064811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.064811 (E_RNA)
where:
Base-Base interactions energy: -116.201
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.172
local terms energy: -71.691335
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.282
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -188.579157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.579157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.579157 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.511
local terms energy: -62.787217
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -8.955
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -134.465819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.465819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.465819 (E_RNA)
where:
Base-Base interactions energy: -80.095
where: short stacking energy: -44.376
Base-Backbone interact. energy: 1.317
local terms energy: -55.687771
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -87.589485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589485 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.099
local terms energy: -51.599683
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -3.282
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: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -85.682971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.682971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.682971 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -33.713
Base-Backbone interact. energy: -0.132
local terms energy: -51.764365
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -81.897848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897848 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -19.322
Base-Backbone interact. energy: 0.354
local terms energy: -45.232988
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -219.285889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.285889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.285889 (E_RNA)
where:
Base-Base interactions energy: -150.336
where: short stacking energy: -67.430
Base-Backbone interact. energy: 0.415
local terms energy: -69.364659
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -199.333378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.333378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.333378 (E_RNA)
where:
Base-Base interactions energy: -126.788
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.002
local terms energy: -72.542809
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -12.071
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: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -210.155284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.155284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155284 (E_RNA)
where:
Base-Base interactions energy: -136.575
where: short stacking energy: -62.570
Base-Backbone interact. energy: 0.338
local terms energy: -73.917754
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.517
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: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -199.781973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.781973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.781973 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -58.955
Base-Backbone interact. energy: 0.747
local terms energy: -57.562873
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -191.564949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.564949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.564949 (E_RNA)
where:
Base-Base interactions energy: -120.711
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.101
local terms energy: -70.753155
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -180.470561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.470561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.470561 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.008
local terms energy: -61.018119
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -10.704
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: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -130.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.236054 (E_RNA)
where:
Base-Base interactions energy: -75.375
where: short stacking energy: -36.572
Base-Backbone interact. energy: -0.873
local terms energy: -53.988100
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -91.003001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003001 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -26.739
Base-Backbone interact. energy: 0.679
local terms energy: -50.855542
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -0.312
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -93.296371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.296371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.296371 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -22.630
Base-Backbone interact. energy: -0.763
local terms energy: -61.678807
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -7.146
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: 425
Temperature: 1.350000
Total energy: -72.144224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.144224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.144224 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -22.500
Base-Backbone interact. energy: -0.491
local terms energy: -42.763048
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -6.196
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: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -221.540041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.540041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.540041 (E_RNA)
where:
Base-Base interactions energy: -150.870
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.061
local terms energy: -70.608975
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -198.382511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.382511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.382511 (E_RNA)
where:
Base-Base interactions energy: -127.027
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.204
local terms energy: -71.152217
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -203.790569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.790569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.790569 (E_RNA)
where:
Base-Base interactions energy: -136.055
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.031
local terms energy: -67.704499
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -12.834
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -180.885909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.885909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.885909 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.313
local terms energy: -56.196684
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -6.553
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: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -179.510505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.510505 (E_RNA)
where:
Base-Base interactions energy: -114.124
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.179
local terms energy: -65.208057
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -11.594
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: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -188.458419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.458419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.458419 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.009
local terms energy: -72.621139
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -12.777
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -89.809897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809897 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -27.943
Base-Backbone interact. energy: -0.827
local terms energy: -55.686779
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -87.976722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.976722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.976722 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -32.929
Base-Backbone interact. energy: -0.581
local terms energy: -54.465952
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -2.286
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -98.175286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.175286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.175286 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.132
local terms energy: -58.239409
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -82.631559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.631559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.631559 (E_RNA)
where:
Base-Base interactions energy: -32.151
where: short stacking energy: -26.854
Base-Backbone interact. energy: -0.003
local terms energy: -50.477036
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.676
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -225.025116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.025116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.025116 (E_RNA)
where:
Base-Base interactions energy: -155.824
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.404
local terms energy: -68.796378
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -216.756006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.756006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.756006 (E_RNA)
where:
Base-Base interactions energy: -149.636
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.239
local terms energy: -66.881208
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -206.425496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.425496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.425496 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -60.309
Base-Backbone interact. energy: -0.001
local terms energy: -71.513000
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -185.315905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.315905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.315905 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.002
local terms energy: -62.405666
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -180.645898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.645898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.645898 (E_RNA)
where:
Base-Base interactions energy: -111.806
where: short stacking energy: -61.511
Base-Backbone interact. energy: 0.379
local terms energy: -69.218453
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -11.483
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: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -172.079417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.079417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.079417 (E_RNA)
where:
Base-Base interactions energy: -112.761
where: short stacking energy: -50.854
Base-Backbone interact. energy: -0.319
local terms energy: -58.999674
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -96.745041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.745041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.745041 (E_RNA)
where:
Base-Base interactions energy: -46.200
where: short stacking energy: -42.950
Base-Backbone interact. energy: -0.294
local terms energy: -50.251535
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -8.439
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: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -161.334762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.334762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334762 (E_RNA)
where:
Base-Base interactions energy: -106.315
where: short stacking energy: -42.566
Base-Backbone interact. energy: 0.096
local terms energy: -55.115534
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -71.467281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.467281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.467281 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -27.011
Base-Backbone interact. energy: -0.126
local terms energy: -41.548173
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.443
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: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -82.558582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.558582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.558582 (E_RNA)
where:
Base-Base interactions energy: -43.086
where: short stacking energy: -24.957
Base-Backbone interact. energy: 0.817
local terms energy: -40.289547
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: 0.869
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: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -230.016440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.016440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.016440 (E_RNA)
where:
Base-Base interactions energy: -155.668
where: short stacking energy: -68.654
Base-Backbone interact. energy: 0.219
local terms energy: -74.567823
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -16.100
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: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -220.794349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.794349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.794349 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.044
local terms energy: -63.006109
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.000
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: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -194.433975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.433975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.433975 (E_RNA)
where:
Base-Base interactions energy: -123.469
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.575
local terms energy: -70.389424
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -207.397031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397031 (E_RNA)
where:
Base-Base interactions energy: -136.972
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.097
local terms energy: -70.327801
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -185.046666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.046666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.046666 (E_RNA)
where:
Base-Base interactions energy: -121.686
where: short stacking energy: -53.887
Base-Backbone interact. energy: 2.524
local terms energy: -65.884476
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -182.196849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.196849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196849 (E_RNA)
where:
Base-Base interactions energy: -112.716
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.428
local terms energy: -69.053457
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -19.096
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -188.286151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.286151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.286151 (E_RNA)
where:
Base-Base interactions energy: -130.570
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.010
local terms energy: -57.706344
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -5.020
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: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.453978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.453978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.453978 (E_RNA)
where:
Base-Base interactions energy: -37.497
where: short stacking energy: -27.334
Base-Backbone interact. energy: -0.129
local terms energy: -51.828603
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -77.726866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.726866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.726866 (E_RNA)
where:
Base-Base interactions energy: -40.377
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.093
local terms energy: -37.257087
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -6.806
flat angles P-C4'-P energy: -1.297
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.268909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.268909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.268909 (E_RNA)
where:
Base-Base interactions energy: -25.149
where: short stacking energy: -25.149
Base-Backbone interact. energy: -0.139
local terms energy: -51.980526
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -216.992616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.992616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.992616 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.032
local terms energy: -76.327004
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -217.979037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979037 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -65.341
Base-Backbone interact. energy: 0.094
local terms energy: -66.384656
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -186.013319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.013319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.013319 (E_RNA)
where:
Base-Base interactions energy: -119.523
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.001
local terms energy: -66.488819
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -193.139218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.139218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.139218 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.009
local terms energy: -63.181203
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -15.346
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: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -188.108090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.108090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.108090 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.174
local terms energy: -64.699748
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -200.840028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.840028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.840028 (E_RNA)
where:
Base-Base interactions energy: -128.218
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.370
local terms energy: -72.252049
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.401
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -169.062499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.062499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.062499 (E_RNA)
where:
Base-Base interactions energy: -104.393
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.027
local terms energy: -64.642170
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.946
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -94.650712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.650712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.650712 (E_RNA)
where:
Base-Base interactions energy: -40.498
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.141
local terms energy: -54.011463
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.631977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631977 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -32.166
Base-Backbone interact. energy: 1.173
local terms energy: -47.959030
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.753134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.753134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.753134 (E_RNA)
where:
Base-Base interactions energy: -28.048
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.535
local terms energy: -52.170408
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -222.839769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.839769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.839769 (E_RNA)
where:
Base-Base interactions energy: -145.014
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.002
local terms energy: -77.824136
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -19.560
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: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -225.000028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.000028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.000028 (E_RNA)
where:
Base-Base interactions energy: -148.990
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.006
local terms energy: -76.003577
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.432
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: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -194.627188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.627188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.627188 (E_RNA)
where:
Base-Base interactions energy: -121.874
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.017
local terms energy: -72.736062
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -190.376865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.376865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.376865 (E_RNA)
where:
Base-Base interactions energy: -124.766
where: short stacking energy: -62.449
Base-Backbone interact. energy: 0.172
local terms energy: -65.782668
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -5.263
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: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -204.825031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.825031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.825031 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.028
local terms energy: -66.603226
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -193.370176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.370176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.370176 (E_RNA)
where:
Base-Base interactions energy: -114.034
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.363
local terms energy: -78.973549
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -20.394
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -173.933424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.933424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.933424 (E_RNA)
where:
Base-Base interactions energy: -111.821
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.011
local terms energy: -62.101452
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -91.532954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.532954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.532954 (E_RNA)
where:
Base-Base interactions energy: -33.577
where: short stacking energy: -33.142
Base-Backbone interact. energy: -0.142
local terms energy: -57.813623
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -4.841
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: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -93.695564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.695564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.695564 (E_RNA)
where:
Base-Base interactions energy: -47.914
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.250
local terms energy: -45.531395
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -87.151058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.151058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.151058 (E_RNA)
where:
Base-Base interactions energy: -37.373
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.283
local terms energy: -49.495576
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -223.340490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.340490 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.193
local terms energy: -72.349576
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -20.477
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: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -210.785220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.785220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.785220 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.599
local terms energy: -69.434530
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -18.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -202.679178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.679178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.679178 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.351
local terms energy: -68.664674
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -200.489426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.489426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489426 (E_RNA)
where:
Base-Base interactions energy: -132.694
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.483
local terms energy: -67.312525
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -176.073622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.073622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.073622 (E_RNA)
where:
Base-Base interactions energy: -116.542
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.097
local terms energy: -59.434315
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -181.198473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.198473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.198473 (E_RNA)
where:
Base-Base interactions energy: -117.739
where: short stacking energy: -58.569
Base-Backbone interact. energy: 0.413
local terms energy: -63.872125
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -172.643513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.643513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.643513 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.003
local terms energy: -57.039542
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -103.229560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.229560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.229560 (E_RNA)
where:
Base-Base interactions energy: -60.729
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.377
local terms energy: -42.123571
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -0.368
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -81.223094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.223094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.223094 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.394
local terms energy: -51.307129
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.742
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: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -77.817306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.817306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.817306 (E_RNA)
where:
Base-Base interactions energy: -31.246
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.121
local terms energy: -46.450746
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -3.790
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -217.175299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175299 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.004
local terms energy: -73.986826
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -224.599682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.599682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.599682 (E_RNA)
where:
Base-Base interactions energy: -153.031
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.134
local terms energy: -71.434954
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -207.768655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.768655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.768655 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -64.619
Base-Backbone interact. energy: 0.383
local terms energy: -69.403987
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.803
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: 432
Temperature: 1.050000
Total energy: -191.284636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.284636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.284636 (E_RNA)
where:
Base-Base interactions energy: -116.845
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.129
local terms energy: -74.310995
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -15.886
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: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -191.848770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.848770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.848770 (E_RNA)
where:
Base-Base interactions energy: -129.152
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.012
local terms energy: -62.684812
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -178.852656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.852656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852656 (E_RNA)
where:
Base-Base interactions energy: -119.783
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.100
local terms energy: -58.970007
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -94.463197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463197 (E_RNA)
where:
Base-Base interactions energy: -46.931
where: short stacking energy: -27.522
Base-Backbone interact. energy: 1.750
local terms energy: -49.281320
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -0.979
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -138.793471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.793471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.793471 (E_RNA)
where:
Base-Base interactions energy: -77.913
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.095
local terms energy: -60.785259
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -89.582578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582578 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.100
local terms energy: -49.986878
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -90.998618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998618 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -40.469
Base-Backbone interact. energy: -0.078
local terms energy: -50.289507
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -210.805914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.805914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805914 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.042
local terms energy: -75.599682
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -224.253795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.253795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.253795 (E_RNA)
where:
Base-Base interactions energy: -148.130
where: short stacking energy: -70.943
Base-Backbone interact. energy: -0.004
local terms energy: -76.119628
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -203.053493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.053493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.053493 (E_RNA)
where:
Base-Base interactions energy: -140.143
where: short stacking energy: -54.721
Base-Backbone interact. energy: 0.341
local terms energy: -63.252113
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -192.967440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.967440 (E_RNA)
where:
Base-Base interactions energy: -121.361
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.087
local terms energy: -71.519500
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -188.788195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.788195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.788195 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.135
local terms energy: -68.321987
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -185.027235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.027235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.027235 (E_RNA)
where:
Base-Base interactions energy: -118.494
where: short stacking energy: -55.939
Base-Backbone interact. energy: -0.001
local terms energy: -66.532082
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -16.240
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -85.901829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.901829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.901829 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.045
local terms energy: -48.421543
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -148.829099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.829099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.829099 (E_RNA)
where:
Base-Base interactions energy: -88.733
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.115
local terms energy: -59.981395
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.356
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: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.821229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821229 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.201
local terms energy: -57.118399
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -92.504452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.504452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.504452 (E_RNA)
where:
Base-Base interactions energy: -40.202
where: short stacking energy: -30.170
Base-Backbone interact. energy: 0.084
local terms energy: -52.386391
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -218.891379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.891379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891379 (E_RNA)
where:
Base-Base interactions energy: -149.226
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.006
local terms energy: -69.659589
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -18.549
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: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -215.111952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.111952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.111952 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -71.122
Base-Backbone interact. energy: 0.062
local terms energy: -67.254797
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -211.425951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.425951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.425951 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.004
local terms energy: -65.899882
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.893
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: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -187.938598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.938598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938598 (E_RNA)
where:
Base-Base interactions energy: -125.389
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.116
local terms energy: -62.432872
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -9.295
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -175.703988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.703988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.703988 (E_RNA)
where:
Base-Base interactions energy: -108.651
where: short stacking energy: -57.541
Base-Backbone interact. energy: -0.008
local terms energy: -67.044729
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -13.814
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: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -172.583300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583300 (E_RNA)
where:
Base-Base interactions energy: -111.372
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.001
local terms energy: -61.210824
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -153.746085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.746085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.746085 (E_RNA)
where:
Base-Base interactions energy: -94.048
where: short stacking energy: -43.998
Base-Backbone interact. energy: 0.574
local terms energy: -60.272376
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -99.074713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.074713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.074713 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -28.202
Base-Backbone interact. energy: -0.093
local terms energy: -52.320423
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -80.873643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873643 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.071
local terms energy: -42.661617
where:
bonds (distance) C4'-P energy: -6.639
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -79.388447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.388447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.388447 (E_RNA)
where:
Base-Base interactions energy: -35.263
where: short stacking energy: -21.187
Base-Backbone interact. energy: -0.423
local terms energy: -43.702890
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -217.291844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.291844 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.003
local terms energy: -72.094325
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -207.812837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.812837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.812837 (E_RNA)
where:
Base-Base interactions energy: -149.809
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.045
local terms energy: -57.958787
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -8.739
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -199.179808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.179808 (E_RNA)
where:
Base-Base interactions energy: -130.401
where: short stacking energy: -67.864
Base-Backbone interact. energy: 1.801
local terms energy: -70.579644
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.835
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: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -191.991460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.991460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.991460 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -64.542
Base-Backbone interact. energy: 0.015
local terms energy: -67.045662
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -17.932
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: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -177.578372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.578372 (E_RNA)
where:
Base-Base interactions energy: -120.312
where: short stacking energy: -61.782
Base-Backbone interact. energy: 0.034
local terms energy: -57.300263
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -184.217841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.217841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.217841 (E_RNA)
where:
Base-Base interactions energy: -127.946
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.825
local terms energy: -55.446755
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -10.211
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: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -97.962685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.962685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.962685 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -40.154
Base-Backbone interact. energy: -0.082
local terms energy: -50.092284
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -3.101
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: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -91.479842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479842 (E_RNA)
where:
Base-Base interactions energy: -36.411
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.064
local terms energy: -55.005481
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -8.474
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: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -90.714610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714610 (E_RNA)
where:
Base-Base interactions energy: -34.610
where: short stacking energy: -29.903
Base-Backbone interact. energy: 0.726
local terms energy: -56.830027
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -97.021490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021490 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -38.910
Base-Backbone interact. energy: 1.319
local terms energy: -59.411695
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -204.107687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.107687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.107687 (E_RNA)
where:
Base-Base interactions energy: -132.682
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.189
local terms energy: -71.236438
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -204.759623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.759623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.759623 (E_RNA)
where:
Base-Base interactions energy: -131.664
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.005
local terms energy: -73.090862
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -211.378113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378113 (E_RNA)
where:
Base-Base interactions energy: -140.359
where: short stacking energy: -67.415
Base-Backbone interact. energy: -0.022
local terms energy: -70.997845
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.095
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: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -194.574661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.574661 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.004
local terms energy: -72.370955
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -189.007745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.007745 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -59.126
Base-Backbone interact. energy: -0.010
local terms energy: -70.280025
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -182.183700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.183700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.183700 (E_RNA)
where:
Base-Base interactions energy: -116.811
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.708
local terms energy: -64.664549
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -82.759483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759483 (E_RNA)
where:
Base-Base interactions energy: -34.963
where: short stacking energy: -34.963
Base-Backbone interact. energy: 0.239
local terms energy: -48.035522
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -0.783
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: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -96.717336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.717336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.717336 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -42.388
Base-Backbone interact. energy: -0.039
local terms energy: -54.174140
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -86.260869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.260869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.260869 (E_RNA)
where:
Base-Base interactions energy: -30.203
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.221
local terms energy: -55.837372
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -84.429113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.429113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.429113 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.624
local terms energy: -38.685947
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -2.956
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -210.511851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.511851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.511851 (E_RNA)
where:
Base-Base interactions energy: -140.612
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.719
local terms energy: -69.181842
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -219.190370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.190370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190370 (E_RNA)
where:
Base-Base interactions energy: -148.495
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.004
local terms energy: -70.690706
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -15.857
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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -213.668589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.668589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.668589 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.001
local terms energy: -72.170114
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -184.813098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.813098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.813098 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.007
local terms energy: -64.889340
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.892
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: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -208.553013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553013 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.020
local terms energy: -65.899154
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -190.245329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.245329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.245329 (E_RNA)
where:
Base-Base interactions energy: -120.309
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.001
local terms energy: -69.935845
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -13.091
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: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -106.605332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.605332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.605332 (E_RNA)
where:
Base-Base interactions energy: -45.743
where: short stacking energy: -45.743
Base-Backbone interact. energy: -0.003
local terms energy: -60.859956
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -103.839019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.839019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.839019 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.308
local terms energy: -52.598875
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -90.929939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.929939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.929939 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -38.003
Base-Backbone interact. energy: -0.156
local terms energy: -51.967602
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.799682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799682 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.003
local terms energy: -48.398932
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -3.990
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: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -218.495791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.495791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.495791 (E_RNA)
where:
Base-Base interactions energy: -145.126
where: short stacking energy: -71.144
Base-Backbone interact. energy: -0.008
local terms energy: -73.362348
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -204.413116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.413116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.413116 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.115
local terms energy: -73.451136
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -10.217
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -200.173482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.173482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.173482 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.004
local terms energy: -63.195915
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -182.620086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.620086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.620086 (E_RNA)
where:
Base-Base interactions energy: -120.938
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.125
local terms energy: -61.556789
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -193.163150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.163150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.163150 (E_RNA)
where:
Base-Base interactions energy: -131.351
where: short stacking energy: -53.153
Base-Backbone interact. energy: -0.144
local terms energy: -61.668483
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.807
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -194.256082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.256082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.256082 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.526
local terms energy: -72.289497
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -85.367652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.367652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.367652 (E_RNA)
where:
Base-Base interactions energy: -37.104
where: short stacking energy: -21.488
Base-Backbone interact. energy: -0.031
local terms energy: -48.232424
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: 0.154
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -103.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.234607 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.038
local terms energy: -63.706346
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -88.453672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.453672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.453672 (E_RNA)
where:
Base-Base interactions energy: -44.078
where: short stacking energy: -33.820
Base-Backbone interact. energy: -0.219
local terms energy: -44.156794
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -93.085368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085368 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -38.129
Base-Backbone interact. energy: -0.352
local terms energy: -54.604244
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -214.776285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.776285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.776285 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.121
local terms energy: -68.411418
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -187.756608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.756608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.756608 (E_RNA)
where:
Base-Base interactions energy: -133.021
where: short stacking energy: -59.963
Base-Backbone interact. energy: -1.307
local terms energy: -53.429380
where:
bonds (distance) C4'-P energy: -4.743
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -208.281154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.281154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.281154 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.111
local terms energy: -69.779044
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -190.238590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238590 (E_RNA)
where:
Base-Base interactions energy: -130.673
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.069
local terms energy: -59.496057
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -10.418
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: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -179.993316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.993316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.993316 (E_RNA)
where:
Base-Base interactions energy: -111.200
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.060
local terms energy: -68.733453
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -193.872873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.872873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.872873 (E_RNA)
where:
Base-Base interactions energy: -124.742
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.003
local terms energy: -69.127984
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.054
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: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -95.441435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.441435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.441435 (E_RNA)
where:
Base-Base interactions energy: -44.603
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.850
local terms energy: -49.987556
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -82.241440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.241440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.241440 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.253
local terms energy: -45.940506
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -1.557
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: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -79.658975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.658975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.658975 (E_RNA)
where:
Base-Base interactions energy: -27.872
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.184
local terms energy: -51.603864
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -6.706
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: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -80.013148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.013148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.013148 (E_RNA)
where:
Base-Base interactions energy: -32.338
where: short stacking energy: -32.337
Base-Backbone interact. energy: -1.402
local terms energy: -46.273172
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -219.391012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391012 (E_RNA)
where:
Base-Base interactions energy: -144.301
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.678
local terms energy: -74.411838
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -197.728820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.728820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.728820 (E_RNA)
where:
Base-Base interactions energy: -122.677
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.299
local terms energy: -74.752086
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -213.048413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.048413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.048413 (E_RNA)
where:
Base-Base interactions energy: -145.327
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.130
local terms energy: -67.590768
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -207.929373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929373 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.001
local terms energy: -62.018643
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -199.298322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.298322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.298322 (E_RNA)
where:
Base-Base interactions energy: -122.078
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.079
local terms energy: -77.140933
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.783
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: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -178.033424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.033424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.033424 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.184
local terms energy: -67.514831
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -19.998
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -96.431508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.431508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.431508 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.109
local terms energy: -48.595612
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -6.004
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: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -89.085397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085397 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -31.514
Base-Backbone interact. energy: -0.065
local terms energy: -54.001887
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -87.676333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.676333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.676333 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.313
local terms energy: -51.083575
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -4.987
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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -77.280330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280330 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.080
local terms energy: -50.630659
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -217.656759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656759 (E_RNA)
where:
Base-Base interactions energy: -152.812
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.026
local terms energy: -64.819339
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -210.377627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377627 (E_RNA)
where:
Base-Base interactions energy: -137.942
where: short stacking energy: -51.416
Base-Backbone interact. energy: -0.711
local terms energy: -71.724895
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -12.941
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: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -195.931581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.931581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.931581 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.001
local terms energy: -69.395048
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.251
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: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -206.148975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.148975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148975 (E_RNA)
where:
Base-Base interactions energy: -141.383
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.268
local terms energy: -64.498006
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -4.860
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: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -183.593941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.593941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.593941 (E_RNA)
where:
Base-Base interactions energy: -121.970
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.018
local terms energy: -61.605740
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -186.530302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.530302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530302 (E_RNA)
where:
Base-Base interactions energy: -122.304
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.072
local terms energy: -64.154589
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -91.648075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648075 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.110
local terms energy: -49.145140
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -9.045
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: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -86.692940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.692940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.692940 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.541
local terms energy: -50.844087
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -2.741
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: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -95.288691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288691 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -25.778
Base-Backbone interact. energy: -0.489
local terms energy: -51.780408
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -85.558092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.558092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.558092 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -35.357
Base-Backbone interact. energy: -0.536
local terms energy: -49.664447
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -220.011686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011686 (E_RNA)
where:
Base-Base interactions energy: -148.288
where: short stacking energy: -72.067
Base-Backbone interact. energy: -0.003
local terms energy: -71.721418
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -202.654167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.654167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.654167 (E_RNA)
where:
Base-Base interactions energy: -135.289
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.539
local terms energy: -66.825937
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -206.052885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.052885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.052885 (E_RNA)
where:
Base-Base interactions energy: -136.143
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.032
local terms energy: -69.877031
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -192.263792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.263792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.263792 (E_RNA)
where:
Base-Base interactions energy: -126.324
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.233
local terms energy: -65.706747
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -179.583546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.583546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.583546 (E_RNA)
where:
Base-Base interactions energy: -115.564
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.083
local terms energy: -63.936396
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -186.724294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.724294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.724294 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.173
local terms energy: -63.656866
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -88.421069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.421069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.421069 (E_RNA)
where:
Base-Base interactions energy: -35.704
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.025
local terms energy: -52.691800
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.671
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -89.090603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090603 (E_RNA)
where:
Base-Base interactions energy: -38.014
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.174
local terms energy: -50.902452
where:
bonds (distance) C4'-P energy: -5.940
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -88.793776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.793776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.793776 (E_RNA)
where:
Base-Base interactions energy: -38.289
where: short stacking energy: -23.660
Base-Backbone interact. energy: -0.080
local terms energy: -50.424181
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -76.455432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.455432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.455432 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -20.085
Base-Backbone interact. energy: -0.358
local terms energy: -43.023359
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -220.363513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.363513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.363513 (E_RNA)
where:
Base-Base interactions energy: -154.889
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.078
local terms energy: -65.396009
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.416
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: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -215.378996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378996 (E_RNA)
where:
Base-Base interactions energy: -139.549
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.193
local terms energy: -75.636831
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -208.317889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317889 (E_RNA)
where:
Base-Base interactions energy: -136.197
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.003
local terms energy: -72.118430
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -192.223659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.223659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.223659 (E_RNA)
where:
Base-Base interactions energy: -130.065
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.071
local terms energy: -62.087930
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -180.286007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.286007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.286007 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.101
local terms energy: -68.122981
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -11.072
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -191.395252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.395252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.395252 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -55.476
Base-Backbone interact. energy: -0.010
local terms energy: -61.204715
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -16.002
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: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -90.878042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878042 (E_RNA)
where:
Base-Base interactions energy: -44.464
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.348
local terms energy: -46.065842
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -4.279
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -82.251278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.251278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.251278 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -27.822
Base-Backbone interact. energy: -0.095
local terms energy: -49.756566
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -1.812
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: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -87.915234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.915234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.915234 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.350
local terms energy: -55.508932
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.341191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341191 (E_RNA)
where:
Base-Base interactions energy: -31.804
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.754
local terms energy: -49.783327
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: 0.278
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: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -211.351931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.351931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.351931 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.051
local terms energy: -72.524399
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -214.173416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173416 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.001
local terms energy: -74.164923
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -190.440214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.440214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.440214 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.006
local terms energy: -64.672176
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -200.045534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.045534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.045534 (E_RNA)
where:
Base-Base interactions energy: -135.711
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.001
local terms energy: -64.333944
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -198.615843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.615843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.615843 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -71.661
Base-Backbone interact. energy: -0.044
local terms energy: -54.596319
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -5.570
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -16.995
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: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -176.204602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.204602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.204602 (E_RNA)
where:
Base-Base interactions energy: -113.445
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.003
local terms energy: -62.756668
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -11.303
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: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -102.030638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.030638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.030638 (E_RNA)
where:
Base-Base interactions energy: -61.145
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.378
local terms energy: -40.507715
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -1.816
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: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -91.978645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978645 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.136
local terms energy: -53.897662
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -102.005859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.005859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.005859 (E_RNA)
where:
Base-Base interactions energy: -47.843
where: short stacking energy: -34.641
Base-Backbone interact. energy: 0.614
local terms energy: -54.777236
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -2.662
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -83.194130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194130 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.086
local terms energy: -47.869282
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: 2.924
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: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -205.766068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.766068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.766068 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.034
local terms energy: -73.984025
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -14.904
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: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -194.623414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.623414 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.045
local terms energy: -63.780419
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.846
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: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -213.840697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.840697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.840697 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -62.661
Base-Backbone interact. energy: 0.043
local terms energy: -75.559816
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -220.756187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.756187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.756187 (E_RNA)
where:
Base-Base interactions energy: -146.812
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.001
local terms energy: -73.943725
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.671
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: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -195.065207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.065207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.065207 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.682
local terms energy: -64.549211
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -184.275389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.275389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.275389 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -52.646
Base-Backbone interact. energy: -0.005
local terms energy: -67.907875
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -110.038387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.038387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.038387 (E_RNA)
where:
Base-Base interactions energy: -56.614
where: short stacking energy: -43.955
Base-Backbone interact. energy: -0.339
local terms energy: -53.085374
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -99.058848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.058848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.058848 (E_RNA)
where:
Base-Base interactions energy: -49.841
where: short stacking energy: -38.879
Base-Backbone interact. energy: -0.185
local terms energy: -49.031917
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -8.443
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: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -91.917783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.917783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.917783 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.210
local terms energy: -62.031123
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -87.294757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.294757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.294757 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.287
local terms energy: -49.701454
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -0.508
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -206.196033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.196033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196033 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.345
local terms energy: -72.044593
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -208.435466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.435466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.435466 (E_RNA)
where:
Base-Base interactions energy: -140.616
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.566
local terms energy: -67.252982
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -216.268142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.268142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.268142 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.059
local terms energy: -72.349615
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -217.652838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.652838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.652838 (E_RNA)
where:
Base-Base interactions energy: -141.127
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.000
local terms energy: -76.525865
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -201.274430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.274430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.274430 (E_RNA)
where:
Base-Base interactions energy: -135.382
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.006
local terms energy: -65.885698
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.778
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: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -181.961322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.961322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.961322 (E_RNA)
where:
Base-Base interactions energy: -118.462
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.833
local terms energy: -62.665705
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.113
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: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -87.845337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845337 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.224
local terms energy: -54.541454
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -90.809545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.809545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.809545 (E_RNA)
where:
Base-Base interactions energy: -41.169
where: short stacking energy: -31.984
Base-Backbone interact. energy: -0.918
local terms energy: -48.723226
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.899
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -83.773618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773618 (E_RNA)
where:
Base-Base interactions energy: -31.853
where: short stacking energy: -31.853
Base-Backbone interact. energy: -0.779
local terms energy: -51.141067
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -71.286759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.286759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.286759 (E_RNA)
where:
Base-Base interactions energy: -21.556
where: short stacking energy: -21.556
Base-Backbone interact. energy: 0.543
local terms energy: -50.272824
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -218.452779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452779 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.007
local terms energy: -70.788900
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -218.420973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.420973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.420973 (E_RNA)
where:
Base-Base interactions energy: -145.422
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.004
local terms energy: -72.994509
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -199.847469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.847469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.847469 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.120
local terms energy: -59.521230
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -11.395
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: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -219.030576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.030576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.030576 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -69.148
Base-Backbone interact. energy: 0.651
local terms energy: -72.549396
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -12.411
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: 447
Temperature: 1.100000
Total energy: -201.689529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.689529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.689529 (E_RNA)
where:
Base-Base interactions energy: -135.418
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.004
local terms energy: -66.267215
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -179.361700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.361700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.361700 (E_RNA)
where:
Base-Base interactions energy: -114.566
where: short stacking energy: -60.163
Base-Backbone interact. energy: 1.626
local terms energy: -66.422260
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -8.484
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: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -107.236498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.236498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.236498 (E_RNA)
where:
Base-Base interactions energy: -55.156
where: short stacking energy: -35.804
Base-Backbone interact. energy: -0.660
local terms energy: -51.419915
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -87.812633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.812633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.812633 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.098
local terms energy: -51.363829
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: 0.003
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -110.500833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.500833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.500833 (E_RNA)
where:
Base-Base interactions energy: -61.667
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.027
local terms energy: -48.806890
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -74.772023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.772023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.772023 (E_RNA)
where:
Base-Base interactions energy: -27.757
where: short stacking energy: -23.633
Base-Backbone interact. energy: 0.871
local terms energy: -47.886278
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -225.415861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.415861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.415861 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -66.308
Base-Backbone interact. energy: -0.169
local terms energy: -81.050588
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -214.161624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.161624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.161624 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.108
local terms energy: -72.613504
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -219.687051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687051 (E_RNA)
where:
Base-Base interactions energy: -150.730
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.004
local terms energy: -68.953069
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -192.163239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.163239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.163239 (E_RNA)
where:
Base-Base interactions energy: -122.113
where: short stacking energy: -52.581
Base-Backbone interact. energy: 0.158
local terms energy: -70.208544
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -192.924785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.924785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.924785 (E_RNA)
where:
Base-Base interactions energy: -125.645
where: short stacking energy: -53.867
Base-Backbone interact. energy: -0.214
local terms energy: -67.066506
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -185.900122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.900122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.900122 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.206
local terms energy: -61.556760
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -106.154452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.154452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.154452 (E_RNA)
where:
Base-Base interactions energy: -53.542
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.009
local terms energy: -52.603233
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -96.978808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.978808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.978808 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.005
local terms energy: -60.359744
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -10.903
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: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -145.213880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.213880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.213880 (E_RNA)
where:
Base-Base interactions energy: -87.163
where: short stacking energy: -45.940
Base-Backbone interact. energy: 0.788
local terms energy: -58.839666
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -76.032740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.032740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.032740 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.363
local terms energy: -42.923346
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -7.029
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -221.618341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.618341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.618341 (E_RNA)
where:
Base-Base interactions energy: -145.505
where: short stacking energy: -69.534
Base-Backbone interact. energy: 1.942
local terms energy: -78.055668
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -11.510
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -210.328837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.328837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.328837 (E_RNA)
where:
Base-Base interactions energy: -138.849
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.101
local terms energy: -71.378640
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -17.295
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: 449
Temperature: 1.000000
Total energy: -202.281612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281612 (E_RNA)
where:
Base-Base interactions energy: -127.722
where: short stacking energy: -58.192
Base-Backbone interact. energy: 0.146
local terms energy: -74.705831
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.379
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: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -201.282027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.282027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.282027 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.001
local terms energy: -67.095675
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -186.900961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.900961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900961 (E_RNA)
where:
Base-Base interactions energy: -120.891
where: short stacking energy: -39.881
Base-Backbone interact. energy: -0.448
local terms energy: -65.562218
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -9.001
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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -190.215943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.215943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.215943 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.344
local terms energy: -66.844468
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.279
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -100.395942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.395942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.395942 (E_RNA)
where:
Base-Base interactions energy: -52.439
where: short stacking energy: -27.658
Base-Backbone interact. energy: -0.213
local terms energy: -47.744836
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -4.680
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: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -118.119208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.119208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.119208 (E_RNA)
where:
Base-Base interactions energy: -57.945
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.217
local terms energy: -59.957752
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -89.329795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.329795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.329795 (E_RNA)
where:
Base-Base interactions energy: -39.718
where: short stacking energy: -37.784
Base-Backbone interact. energy: -0.147
local terms energy: -49.464375
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -81.779833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779833 (E_RNA)
where:
Base-Base interactions energy: -33.501
where: short stacking energy: -33.501
Base-Backbone interact. energy: -0.539
local terms energy: -47.740340
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -232.425121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.425121 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -74.670
Base-Backbone interact. energy: 1.123
local terms energy: -77.297571
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -218.046422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.046422 (E_RNA)
where:
Base-Base interactions energy: -142.833
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.242
local terms energy: -74.972034
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -199.857708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857708 (E_RNA)
where:
Base-Base interactions energy: -133.651
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.332
local terms energy: -65.874775
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -200.517440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.517440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.517440 (E_RNA)
where:
Base-Base interactions energy: -129.357
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.096
local terms energy: -71.064264
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -203.213467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.213467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.213467 (E_RNA)
where:
Base-Base interactions energy: -135.249
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.010
local terms energy: -67.953980
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.544
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: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -192.590521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.590521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.590521 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.121
local terms energy: -69.329716
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.776
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: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -127.225390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.225390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.225390 (E_RNA)
where:
Base-Base interactions energy: -79.390
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.260
local terms energy: -47.574721
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -2.469
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: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -94.265861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265861 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.198
local terms energy: -53.948482
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -10.004
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: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -88.434525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.434525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.434525 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.011
local terms energy: -55.977855
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -7.892
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: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -78.197808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197808 (E_RNA)
where:
Base-Base interactions energy: -25.545
where: short stacking energy: -18.032
Base-Backbone interact. energy: -0.087
local terms energy: -52.566021
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -3.124
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: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -228.574597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.574597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.574597 (E_RNA)
where:
Base-Base interactions energy: -163.652
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.153
local terms energy: -64.770142
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -207.643969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.643969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.643969 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -68.548
Base-Backbone interact. energy: 0.669
local terms energy: -68.131441
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -20.545
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: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -203.259013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.259013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259013 (E_RNA)
where:
Base-Base interactions energy: -135.494
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.087
local terms energy: -67.677694
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -16.277
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: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -188.122029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.122029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.122029 (E_RNA)
where:
Base-Base interactions energy: -125.647
where: short stacking energy: -59.223
Base-Backbone interact. energy: -0.068
local terms energy: -62.406542
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -193.827434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.827434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.827434 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.046
local terms energy: -71.841606
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -17.464
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -184.021220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.021220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.021220 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.066
local terms energy: -62.463623
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -138.738283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.738283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.738283 (E_RNA)
where:
Base-Base interactions energy: -82.848
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.217
local terms energy: -55.672987
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -10.189
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: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -85.437543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437543 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.331
local terms energy: -49.603845
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -3.874
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: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.249294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.249294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.249294 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.019
local terms energy: -49.679366
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -107.390106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.390106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.390106 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.086
local terms energy: -51.404916
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -222.146234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.146234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.146234 (E_RNA)
where:
Base-Base interactions energy: -151.615
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.102
local terms energy: -70.429153
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -219.136138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136138 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -65.052
Base-Backbone interact. energy: -0.077
local terms energy: -70.705609
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -5.309
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: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -204.173282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.173282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.173282 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.046
local terms energy: -66.304262
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -7.700
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: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -187.088410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.088410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.088410 (E_RNA)
where:
Base-Base interactions energy: -118.318
where: short stacking energy: -54.819
Base-Backbone interact. energy: -0.051
local terms energy: -68.719988
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -196.065484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.065484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.065484 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.016
local terms energy: -61.589490
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -186.515223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.515223 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -53.948
Base-Backbone interact. energy: 0.597
local terms energy: -63.598434
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -96.046302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046302 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -37.524
Base-Backbone interact. energy: -0.084
local terms energy: -58.437739
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -5.031
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: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -124.258251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.258251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.258251 (E_RNA)
where:
Base-Base interactions energy: -65.153
where: short stacking energy: -30.979
Base-Backbone interact. energy: -0.516
local terms energy: -58.589171
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -96.293603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.293603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.293603 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -16.802
Base-Backbone interact. energy: -0.736
local terms energy: -45.154223
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -85.171625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171625 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.475
local terms energy: -49.409411
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -222.386247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.386247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.386247 (E_RNA)
where:
Base-Base interactions energy: -147.844
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.013
local terms energy: -74.529670
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -205.076828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076828 (E_RNA)
where:
Base-Base interactions energy: -136.568
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.018
local terms energy: -68.490232
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -200.569975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569975 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.002
local terms energy: -64.304325
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -14.949
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: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -206.912397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.912397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.912397 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.120
local terms energy: -67.295348
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -174.671576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.671576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.671576 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -49.886
Base-Backbone interact. energy: 0.031
local terms energy: -59.221396
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -195.361634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.361634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.361634 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -67.090
Base-Backbone interact. energy: -0.167
local terms energy: -67.244883
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -90.163378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163378 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.017
local terms energy: -51.372122
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -100.552368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.552368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.552368 (E_RNA)
where:
Base-Base interactions energy: -57.972
where: short stacking energy: -38.549
Base-Backbone interact. energy: -0.078
local terms energy: -42.502503
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -0.399
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: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -132.901484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.901484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.901484 (E_RNA)
where:
Base-Base interactions energy: -89.331
where: short stacking energy: -34.647
Base-Backbone interact. energy: 1.205
local terms energy: -44.776365
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -0.558
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -78.855362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855362 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -22.472
Base-Backbone interact. energy: -0.234
local terms energy: -54.204634
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -213.032978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.032978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.032978 (E_RNA)
where:
Base-Base interactions energy: -142.010
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.579
local terms energy: -70.443610
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -203.166719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166719 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.087
local terms energy: -72.083561
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -202.198462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198462 (E_RNA)
where:
Base-Base interactions energy: -131.555
where: short stacking energy: -62.339
Base-Backbone interact. energy: 2.909
local terms energy: -73.553215
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -184.386669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.386669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.386669 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -55.610
Base-Backbone interact. energy: -0.102
local terms energy: -67.029000
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -186.722016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.722016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.722016 (E_RNA)
where:
Base-Base interactions energy: -118.320
where: short stacking energy: -52.101
Base-Backbone interact. energy: -0.053
local terms energy: -68.349184
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -173.942061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.942061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.942061 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.296
local terms energy: -63.718517
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -98.533292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533292 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -39.021
Base-Backbone interact. energy: -0.753
local terms energy: -58.759988
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -81.484318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484318 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -29.084
Base-Backbone interact. energy: -1.232
local terms energy: -36.945517
where:
bonds (distance) C4'-P energy: -6.551
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -1.908
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: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -87.255944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.255944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.255944 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -32.418
Base-Backbone interact. energy: -0.034
local terms energy: -54.804206
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -124.445898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.445898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.445898 (E_RNA)
where:
Base-Base interactions energy: -74.775
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.429
local terms energy: -49.241282
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -213.423676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.423676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.423676 (E_RNA)
where:
Base-Base interactions energy: -143.437
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.156
local terms energy: -69.829921
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -209.662436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.662436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662436 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.023
local terms energy: -75.298876
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -208.131493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.131493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.131493 (E_RNA)
where:
Base-Base interactions energy: -141.924
where: short stacking energy: -68.220
Base-Backbone interact. energy: 1.775
local terms energy: -67.982134
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -201.316373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.316373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.316373 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.028
local terms energy: -70.122119
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -196.307756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.307756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.307756 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -64.034
Base-Backbone interact. energy: -0.047
local terms energy: -63.420692
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -174.729287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.729287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.729287 (E_RNA)
where:
Base-Base interactions energy: -113.548
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.219
local terms energy: -60.961702
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -95.815961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.815961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.815961 (E_RNA)
where:
Base-Base interactions energy: -33.813
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.099
local terms energy: -61.903813
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.410938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410938 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -31.559
Base-Backbone interact. energy: -0.135
local terms energy: -51.454618
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -6.492
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: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -88.966506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.966506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.966506 (E_RNA)
where:
Base-Base interactions energy: -30.338
where: short stacking energy: -26.958
Base-Backbone interact. energy: 0.275
local terms energy: -58.904238
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -1.869
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: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -104.417852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.417852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.417852 (E_RNA)
where:
Base-Base interactions energy: -54.052
where: short stacking energy: -40.683
Base-Backbone interact. energy: 5.822
local terms energy: -56.188024
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -227.897923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.897923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.897923 (E_RNA)
where:
Base-Base interactions energy: -148.851
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.005
local terms energy: -79.041842
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -19.072
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: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -205.936052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.936052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.936052 (E_RNA)
where:
Base-Base interactions energy: -134.034
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.117
local terms energy: -71.784233
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -197.450065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.450065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.450065 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -56.661
Base-Backbone interact. energy: 0.649
local terms energy: -67.672784
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -10.952
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: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -202.344052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344052 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.026
local terms energy: -72.735744
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -186.752581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.752581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.752581 (E_RNA)
where:
Base-Base interactions energy: -119.009
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.057
local terms energy: -67.686244
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.414
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: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -188.318180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.318180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.318180 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.004
local terms energy: -66.672208
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -103.028319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.028319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.028319 (E_RNA)
where:
Base-Base interactions energy: -50.724
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.731
local terms energy: -51.574010
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -87.514828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514828 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.045
local terms energy: -51.776116
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -7.951
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: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -83.273664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.273664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.273664 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -39.061
Base-Backbone interact. energy: -0.034
local terms energy: -44.178476
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -80.297797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.297797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.297797 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.104
local terms energy: -43.088903
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -219.897930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.897930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.897930 (E_RNA)
where:
Base-Base interactions energy: -142.825
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.072
local terms energy: -77.000782
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -202.480367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.480367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.480367 (E_RNA)
where:
Base-Base interactions energy: -134.294
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.003
local terms energy: -68.183707
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.176
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: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -200.791349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.791349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.791349 (E_RNA)
where:
Base-Base interactions energy: -130.277
where: short stacking energy: -56.069
Base-Backbone interact. energy: -0.089
local terms energy: -70.424930
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.146
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: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -191.310517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310517 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.303
local terms energy: -68.964591
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -7.655
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -17.048
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: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -170.802603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.802603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.802603 (E_RNA)
where:
Base-Base interactions energy: -105.966
where: short stacking energy: -50.643
Base-Backbone interact. energy: -0.194
local terms energy: -64.642484
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -187.045526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.045526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.045526 (E_RNA)
where:
Base-Base interactions energy: -115.483
where: short stacking energy: -54.755
Base-Backbone interact. energy: 0.805
local terms energy: -72.367430
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.946
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: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -128.072166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.072166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.072166 (E_RNA)
where:
Base-Base interactions energy: -71.069
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.132
local terms energy: -56.870917
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -11.802
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: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -97.241428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.241428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.241428 (E_RNA)
where:
Base-Base interactions energy: -45.139
where: short stacking energy: -38.322
Base-Backbone interact. energy: -0.022
local terms energy: -52.080085
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.680544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.680544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.680544 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.015
local terms energy: -53.342129
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -7.901
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -90.641877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.641877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.641877 (E_RNA)
where:
Base-Base interactions energy: -43.243
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.030
local terms energy: -47.368917
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -8.629
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -222.134753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.134753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.134753 (E_RNA)
where:
Base-Base interactions energy: -149.547
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.715
local terms energy: -71.872610
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -207.599800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.599800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.599800 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -65.190
Base-Backbone interact. energy: 0.224
local terms energy: -68.843664
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -195.981977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.981977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.981977 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.043
local terms energy: -68.615788
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -7.359
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: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -192.757487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757487 (E_RNA)
where:
Base-Base interactions energy: -126.017
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.759
local terms energy: -65.980889
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -9.316
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: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -199.882475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.882475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.882475 (E_RNA)
where:
Base-Base interactions energy: -139.018
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.663
local terms energy: -60.202084
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -14.765
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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -185.042682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.042682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.042682 (E_RNA)
where:
Base-Base interactions energy: -118.574
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.485
local terms energy: -65.983583
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -148.222311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.222311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.222311 (E_RNA)
where:
Base-Base interactions energy: -87.180
where: short stacking energy: -52.299
Base-Backbone interact. energy: -0.881
local terms energy: -60.160753
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -93.714435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714435 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.171
local terms energy: -55.246478
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -4.756
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: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -82.009241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.009241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.009241 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.450
local terms energy: -48.214665
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -90.844087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.844087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.844087 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.716
local terms energy: -35.650944
where:
bonds (distance) C4'-P energy: -5.079
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -2.832
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: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -221.347160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.347160 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.013
local terms energy: -73.150233
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -201.086654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086654 (E_RNA)
where:
Base-Base interactions energy: -131.758
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.197
local terms energy: -69.131630
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -10.368
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: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -201.678640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678640 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.438
local terms energy: -65.532403
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -14.426
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: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -203.130094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.130094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.130094 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.023
local terms energy: -66.943665
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -191.493516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.493516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.493516 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.218
local terms energy: -60.559967
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.110
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: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -149.217680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.217680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.217680 (E_RNA)
where:
Base-Base interactions energy: -88.499
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.052
local terms energy: -60.666725
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -188.207866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.207866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.207866 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.068
local terms energy: -63.198327
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.205890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205890 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -34.026
Base-Backbone interact. energy: 0.562
local terms energy: -58.742297
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -87.931993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931993 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -18.731
Base-Backbone interact. energy: 0.024
local terms energy: -55.005818
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -83.191006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191006 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -25.358
Base-Backbone interact. energy: -0.106
local terms energy: -57.726403
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -224.377362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377362 (E_RNA)
where:
Base-Base interactions energy: -150.883
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.045
local terms energy: -73.449260
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -199.727452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.727452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.727452 (E_RNA)
where:
Base-Base interactions energy: -127.812
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.237
local terms energy: -71.677941
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -202.022093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.022093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.022093 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.022
local terms energy: -64.203744
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -195.711244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.711244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.711244 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.715
local terms energy: -63.696680
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -192.380724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.380724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.380724 (E_RNA)
where:
Base-Base interactions energy: -128.863
where: short stacking energy: -54.707
Base-Backbone interact. energy: 1.693
local terms energy: -65.210593
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.116
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: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -105.762596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.762596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.762596 (E_RNA)
where:
Base-Base interactions energy: -50.127
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.006
local terms energy: -55.629546
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -99.234934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.234934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.234934 (E_RNA)
where:
Base-Base interactions energy: -44.573
where: short stacking energy: -38.613
Base-Backbone interact. energy: 3.270
local terms energy: -57.931615
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -174.780376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.780376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.780376 (E_RNA)
where:
Base-Base interactions energy: -112.391
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.306
local terms energy: -62.083478
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.145
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: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -109.964575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.964575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.964575 (E_RNA)
where:
Base-Base interactions energy: -55.392
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.211
local terms energy: -54.361442
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -92.799972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.799972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.799972 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -33.859
Base-Backbone interact. energy: 1.680
local terms energy: -43.653482
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -217.476318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476318 (E_RNA)
where:
Base-Base interactions energy: -146.300
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.024
local terms energy: -71.152754
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -208.513386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.513386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.513386 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.003
local terms energy: -72.233570
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.251
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: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -190.941734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.941734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.941734 (E_RNA)
where:
Base-Base interactions energy: -124.908
where: short stacking energy: -55.780
Base-Backbone interact. energy: -0.340
local terms energy: -65.693562
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -187.324939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.324939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.324939 (E_RNA)
where:
Base-Base interactions energy: -117.599
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.005
local terms energy: -69.720376
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -188.797281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.797281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.797281 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.347
local terms energy: -67.927371
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.113
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -111.070169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.070169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.070169 (E_RNA)
where:
Base-Base interactions energy: -59.787
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.328
local terms energy: -50.954714
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -90.045394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045394 (E_RNA)
where:
Base-Base interactions energy: -41.046
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.510
local terms energy: -48.489419
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -6.221
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -186.115247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115247 (E_RNA)
where:
Base-Base interactions energy: -131.893
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.170
local terms energy: -54.051921
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -7.460
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -126.979950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.979950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.979950 (E_RNA)
where:
Base-Base interactions energy: -68.204
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.730
local terms energy: -58.045987
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -96.118522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.118522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.118522 (E_RNA)
where:
Base-Base interactions energy: -51.390
where: short stacking energy: -25.011
Base-Backbone interact. energy: -1.754
local terms energy: -42.974961
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: 1.107
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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -207.526445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526445 (E_RNA)
where:
Base-Base interactions energy: -143.535
where: short stacking energy: -55.588
Base-Backbone interact. energy: 0.038
local terms energy: -64.030285
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -207.590123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.590123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.590123 (E_RNA)
where:
Base-Base interactions energy: -149.432
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.019
local terms energy: -58.138990
where:
bonds (distance) C4'-P energy: -2.377
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -192.953789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.953789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953789 (E_RNA)
where:
Base-Base interactions energy: -122.589
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.364
local terms energy: -70.001206
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -212.569641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.569641 (E_RNA)
where:
Base-Base interactions energy: -141.164
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.205
local terms energy: -71.200016
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.071
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -180.929444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.929444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.929444 (E_RNA)
where:
Base-Base interactions energy: -121.485
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.115
local terms energy: -59.329043
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -8.634
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: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -175.458973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.458973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.458973 (E_RNA)
where:
Base-Base interactions energy: -110.386
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.057
local terms energy: -65.016123
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.766
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -216.413152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.413152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.413152 (E_RNA)
where:
Base-Base interactions energy: -155.195
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.207
local terms energy: -61.011665
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -100.820725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820725 (E_RNA)
where:
Base-Base interactions energy: -50.867
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.198
local terms energy: -49.755033
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -78.924703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924703 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.227
local terms energy: -50.311481
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -0.902
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -78.446731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446731 (E_RNA)
where:
Base-Base interactions energy: -34.422
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.231
local terms energy: -43.793650
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -205.960307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.960307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.960307 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.620
local terms energy: -65.949227
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -210.440129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.440129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.440129 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -64.728
Base-Backbone interact. energy: 0.215
local terms energy: -63.154639
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -203.391915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.391915 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.030
local terms energy: -62.114842
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -197.913903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.913903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.913903 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -63.415
Base-Backbone interact. energy: 0.081
local terms energy: -59.809589
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -10.881
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: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -183.634732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.634732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.634732 (E_RNA)
where:
Base-Base interactions energy: -112.579
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.751
local terms energy: -70.304181
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -221.456880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.456880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.456880 (E_RNA)
where:
Base-Base interactions energy: -154.170
where: short stacking energy: -58.666
Base-Backbone interact. energy: -0.748
local terms energy: -66.538380
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -162.476415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.476415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.476415 (E_RNA)
where:
Base-Base interactions energy: -100.584
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.047
local terms energy: -61.845064
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.752
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: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -94.550089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.550089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.550089 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -38.938
Base-Backbone interact. energy: -0.489
local terms energy: -53.420318
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -7.912
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: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -90.313341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.313341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.313341 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.122
local terms energy: -50.188144
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -87.134832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.134832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.134832 (E_RNA)
where:
Base-Base interactions energy: -45.767
where: short stacking energy: -20.383
Base-Backbone interact. energy: -0.418
local terms energy: -40.949838
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -221.814418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.814418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.814418 (E_RNA)
where:
Base-Base interactions energy: -150.487
where: short stacking energy: -74.177
Base-Backbone interact. energy: -0.001
local terms energy: -71.326642
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.720
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: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -213.774174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.774174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.774174 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -70.597
Base-Backbone interact. energy: -0.611
local terms energy: -63.300180
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.381
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: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -202.506180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506180 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.189
local terms energy: -69.305239
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -197.761149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.761149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.761149 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.300
local terms energy: -68.335734
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -222.609026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609026 (E_RNA)
where:
Base-Base interactions energy: -156.368
where: short stacking energy: -61.847
Base-Backbone interact. energy: -0.297
local terms energy: -65.943662
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -174.220338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.220338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.220338 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -54.679
Base-Backbone interact. energy: 2.035
local terms energy: -59.772679
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -148.414646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.414646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.414646 (E_RNA)
where:
Base-Base interactions energy: -94.444
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.565
local terms energy: -53.405181
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -11.992
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: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -106.115488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.115488 (E_RNA)
where:
Base-Base interactions energy: -64.997
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.227
local terms energy: -40.891128
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -87.520833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.520833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.520833 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.166
local terms energy: -48.964217
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -7.203
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: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.965510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.965510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.965510 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.211
local terms energy: -46.950721
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.113028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.113028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.113028 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.008
local terms energy: -77.104395
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -212.092471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.092471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.092471 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.209
local terms energy: -67.222499
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -17.007
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: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -216.137028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.137028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.137028 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -71.185
Base-Backbone interact. energy: 0.748
local terms energy: -73.737398
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.965
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: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -226.587714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.587714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.587714 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.211
local terms energy: -65.532139
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -182.172127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.172127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.172127 (E_RNA)
where:
Base-Base interactions energy: -128.183
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.093
local terms energy: -53.896156
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -160.814351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.814351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.814351 (E_RNA)
where:
Base-Base interactions energy: -105.710
where: short stacking energy: -51.105
Base-Backbone interact. energy: -1.068
local terms energy: -54.037065
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -12.762
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: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -166.477868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477868 (E_RNA)
where:
Base-Base interactions energy: -103.451
where: short stacking energy: -46.803
Base-Backbone interact. energy: 0.364
local terms energy: -63.391340
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -115.105181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.105181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.105181 (E_RNA)
where:
Base-Base interactions energy: -64.894
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.041
local terms energy: -50.170319
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -100.756949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.756949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.756949 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.003
local terms energy: -56.264611
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -87.037064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037064 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -37.382
Base-Backbone interact. energy: 0.727
local terms energy: -39.383225
where:
bonds (distance) C4'-P energy: -4.206
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -3.586
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: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -220.143628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.143628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.143628 (E_RNA)
where:
Base-Base interactions energy: -142.383
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.002
local terms energy: -77.758439
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -214.117400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.117400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.117400 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.072
local terms energy: -68.620969
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -218.848596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.848596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.848596 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.277
local terms energy: -63.300187
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -6.717
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: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -197.059313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.059313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.059313 (E_RNA)
where:
Base-Base interactions energy: -126.363
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.407
local terms energy: -70.289448
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.009
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: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -202.768350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768350 (E_RNA)
where:
Base-Base interactions energy: -142.501
where: short stacking energy: -51.982
Base-Backbone interact. energy: 2.793
local terms energy: -63.060146
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -167.920219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.920219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.920219 (E_RNA)
where:
Base-Base interactions energy: -100.652
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.420
local terms energy: -66.848916
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -183.518129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.518129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.518129 (E_RNA)
where:
Base-Base interactions energy: -128.327
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.002
local terms energy: -55.188826
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -10.439
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: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -95.397820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397820 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.810
local terms energy: -55.176832
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -78.962521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.962521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.962521 (E_RNA)
where:
Base-Base interactions energy: -33.923
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.248
local terms energy: -44.791534
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.099
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -75.376997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376997 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -18.845
Base-Backbone interact. energy: -0.990
local terms energy: -49.958382
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -210.774473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.774473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.774473 (E_RNA)
where:
Base-Base interactions energy: -147.878
where: short stacking energy: -64.578
Base-Backbone interact. energy: -0.016
local terms energy: -62.879879
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -234.032120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.032120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.032120 (E_RNA)
where:
Base-Base interactions energy: -164.553
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.269
local terms energy: -69.210571
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.926
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: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -204.710342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710342 (E_RNA)
where:
Base-Base interactions energy: -133.473
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.021
local terms energy: -71.216013
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -205.603499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.603499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.603499 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.033
local terms energy: -66.123981
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -188.532608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.532608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.532608 (E_RNA)
where:
Base-Base interactions energy: -123.943
where: short stacking energy: -58.729
Base-Backbone interact. energy: 1.310
local terms energy: -65.899491
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -179.543629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.543629 (E_RNA)
where:
Base-Base interactions energy: -120.000
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.315
local terms energy: -59.228797
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -13.427
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: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -153.966298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.966298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.966298 (E_RNA)
where:
Base-Base interactions energy: -88.587
where: short stacking energy: -48.637
Base-Backbone interact. energy: -0.101
local terms energy: -65.278366
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -86.971194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971194 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -27.820
Base-Backbone interact. energy: -0.257
local terms energy: -56.050479
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -94.798462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798462 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -30.439
Base-Backbone interact. energy: -0.757
local terms energy: -53.745026
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -5.028
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -77.409261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.409261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.409261 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.306
local terms energy: -45.449857
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.398
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: 468
Temperature: 0.900000
Total energy: -229.159757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.159757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.159757 (E_RNA)
where:
Base-Base interactions energy: -158.183
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.377
local terms energy: -70.600100
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -211.686326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.686326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.686326 (E_RNA)
where:
Base-Base interactions energy: -142.137
where: short stacking energy: -60.321
Base-Backbone interact. energy: 0.543
local terms energy: -70.092002
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -16.246
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: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -209.259755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.259755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.259755 (E_RNA)
where:
Base-Base interactions energy: -151.775
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.568
local terms energy: -56.916198
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -206.245135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.245135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.245135 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.003
local terms energy: -70.076581
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -16.330
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -185.912820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912820 (E_RNA)
where:
Base-Base interactions energy: -120.887
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.114
local terms energy: -64.911506
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -196.610703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.610703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.610703 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.030
local terms energy: -67.426786
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -145.653026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.653026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.653026 (E_RNA)
where:
Base-Base interactions energy: -83.482
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.138
local terms energy: -62.032991
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -9.944
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: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -112.137340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.137340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.137340 (E_RNA)
where:
Base-Base interactions energy: -62.470
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.139
local terms energy: -49.527849
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -78.724830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.724830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.724830 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -24.906
Base-Backbone interact. energy: -2.032
local terms energy: -47.870763
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -77.712720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712720 (E_RNA)
where:
Base-Base interactions energy: -32.850
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.459
local terms energy: -44.403031
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -230.095677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.095677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095677 (E_RNA)
where:
Base-Base interactions energy: -161.449
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.520
local terms energy: -68.125753
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -10.072
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: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -201.526041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.526041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.526041 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.585
local terms energy: -71.170233
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -210.436341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.436341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.436341 (E_RNA)
where:
Base-Base interactions energy: -137.240
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.352
local terms energy: -72.844233
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -191.973920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.973920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.973920 (E_RNA)
where:
Base-Base interactions energy: -132.559
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.728
local terms energy: -58.687274
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.606
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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -199.180877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.180877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.180877 (E_RNA)
where:
Base-Base interactions energy: -135.365
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.199
local terms energy: -63.616193
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -17.161
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -192.613611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.613611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.613611 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.126
local terms energy: -67.055867
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -17.675
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: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -139.880151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.880151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.880151 (E_RNA)
where:
Base-Base interactions energy: -91.742
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.766
local terms energy: -47.372170
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -6.237
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: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -95.617334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.617334 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -32.979
Base-Backbone interact. energy: -0.341
local terms energy: -53.459110
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -7.650
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: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -79.854969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.854969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.854969 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.053
local terms energy: -46.172195
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -4.926
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: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -84.384418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.384418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.384418 (E_RNA)
where:
Base-Base interactions energy: -38.021
where: short stacking energy: -25.047
Base-Backbone interact. energy: -1.092
local terms energy: -45.271541
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -209.820438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.820438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.820438 (E_RNA)
where:
Base-Base interactions energy: -144.276
where: short stacking energy: -67.666
Base-Backbone interact. energy: -1.520
local terms energy: -64.024492
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -227.854463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.854463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.854463 (E_RNA)
where:
Base-Base interactions energy: -163.774
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.513
local terms energy: -63.567130
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -203.914368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.914368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.914368 (E_RNA)
where:
Base-Base interactions energy: -129.729
where: short stacking energy: -52.477
Base-Backbone interact. energy: -1.226
local terms energy: -72.959935
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -201.568130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.568130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.568130 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.010
local terms energy: -66.127393
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -195.752728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.752728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.752728 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -62.520
Base-Backbone interact. energy: 0.299
local terms energy: -68.165573
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -175.773797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.773797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.773797 (E_RNA)
where:
Base-Base interactions energy: -112.025
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.123
local terms energy: -63.626097
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -148.053581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.053581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.053581 (E_RNA)
where:
Base-Base interactions energy: -90.484
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.371
local terms energy: -57.198633
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -13.252
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: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -93.327534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.327534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.327534 (E_RNA)
where:
Base-Base interactions energy: -45.890
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.493
local terms energy: -46.944467
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -88.830135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.830135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.830135 (E_RNA)
where:
Base-Base interactions energy: -55.092
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.467
local terms energy: -33.271176
where:
bonds (distance) C4'-P energy: -7.223
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: 2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -81.253831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.253831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.253831 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -25.246
Base-Backbone interact. energy: -0.416
local terms energy: -43.431217
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -203.697520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.697520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.697520 (E_RNA)
where:
Base-Base interactions energy: -142.334
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.118
local terms energy: -61.245458
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -224.237479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.237479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.237479 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.260
local terms energy: -71.453310
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -206.525145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.525145 (E_RNA)
where:
Base-Base interactions energy: -144.256
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.229
local terms energy: -62.040663
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -204.432073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.432073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.432073 (E_RNA)
where:
Base-Base interactions energy: -135.383
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.016
local terms energy: -69.032692
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -11.020
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: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.203386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.203386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.203386 (E_RNA)
where:
Base-Base interactions energy: -133.866
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.004
local terms energy: -71.333093
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -182.283680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.283680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.283680 (E_RNA)
where:
Base-Base interactions energy: -124.950
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.107
local terms energy: -57.226216
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -2.794
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -145.314690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.314690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.314690 (E_RNA)
where:
Base-Base interactions energy: -83.430
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.083
local terms energy: -61.801960
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.786325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786325 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -34.411
Base-Backbone interact. energy: 0.561
local terms energy: -58.070092
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.989
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: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -105.124839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.124839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.124839 (E_RNA)
where:
Base-Base interactions energy: -49.009
where: short stacking energy: -36.210
Base-Backbone interact. energy: -0.253
local terms energy: -55.862544
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -86.724863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724863 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -37.993
Base-Backbone interact. energy: 2.799
local terms energy: -51.531098
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -232.772176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.772176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.772176 (E_RNA)
where:
Base-Base interactions energy: -169.220
where: short stacking energy: -54.577
Base-Backbone interact. energy: -1.030
local terms energy: -62.521653
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -11.170
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: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -215.362618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362618 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.262
local terms energy: -69.482579
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -16.413
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -217.881639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881639 (E_RNA)
where:
Base-Base interactions energy: -148.541
where: short stacking energy: -58.061
Base-Backbone interact. energy: -0.865
local terms energy: -68.475809
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -202.531737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.531737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.531737 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.004
local terms energy: -60.278746
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -181.148908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.148908 (E_RNA)
where:
Base-Base interactions energy: -113.614
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.007
local terms energy: -67.527429
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.400
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: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -176.603646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603646 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.036
local terms energy: -61.027987
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -101.685553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.685553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.685553 (E_RNA)
where:
Base-Base interactions energy: -42.804
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.064
local terms energy: -58.817466
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -128.180220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.180220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.180220 (E_RNA)
where:
Base-Base interactions energy: -75.321
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.040
local terms energy: -52.819169
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -83.572045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.572045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.572045 (E_RNA)
where:
Base-Base interactions energy: -44.942
where: short stacking energy: -32.225
Base-Backbone interact. energy: -0.070
local terms energy: -38.559816
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -6.334
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -81.298131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298131 (E_RNA)
where:
Base-Base interactions energy: -36.328
where: short stacking energy: -30.701
Base-Backbone interact. energy: 0.427
local terms energy: -45.396446
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -231.699134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.699134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.699134 (E_RNA)
where:
Base-Base interactions energy: -166.125
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.504
local terms energy: -65.070499
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -13.281
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: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -220.737229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.737229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.737229 (E_RNA)
where:
Base-Base interactions energy: -151.177
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.246
local terms energy: -69.314045
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -190.858027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.858027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.858027 (E_RNA)
where:
Base-Base interactions energy: -128.069
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.009
local terms energy: -62.779198
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -198.487548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487548 (E_RNA)
where:
Base-Base interactions energy: -125.513
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.057
local terms energy: -72.916866
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -189.587419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.587419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.587419 (E_RNA)
where:
Base-Base interactions energy: -122.905
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.080
local terms energy: -66.602718
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -172.718170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.718170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.718170 (E_RNA)
where:
Base-Base interactions energy: -111.449
where: short stacking energy: -51.261
Base-Backbone interact. energy: -0.528
local terms energy: -60.740931
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -5.305
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -138.970668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.970668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.970668 (E_RNA)
where:
Base-Base interactions energy: -77.702
where: short stacking energy: -46.756
Base-Backbone interact. energy: -0.056
local terms energy: -61.212209
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.541
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: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -125.563764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.563764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.563764 (E_RNA)
where:
Base-Base interactions energy: -76.160
where: short stacking energy: -44.210
Base-Backbone interact. energy: -0.008
local terms energy: -49.395882
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -77.904129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904129 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.653
local terms energy: -50.530649
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.472
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: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -78.173815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.173815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.173815 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -22.699
Base-Backbone interact. energy: -0.251
local terms energy: -48.774748
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.788
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: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -223.305838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.305838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.305838 (E_RNA)
where:
Base-Base interactions energy: -157.821
where: short stacking energy: -59.322
Base-Backbone interact. energy: -0.143
local terms energy: -65.341686
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -15.950
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: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -226.664011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.664011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.664011 (E_RNA)
where:
Base-Base interactions energy: -160.283
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.211
local terms energy: -66.170379
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -189.596906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.596906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.596906 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.117
local terms energy: -66.663941
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -12.136
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: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -196.292308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292308 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.085
local terms energy: -71.946650
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -183.574216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.574216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574216 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.267
local terms energy: -62.430643
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -181.929694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.929694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.929694 (E_RNA)
where:
Base-Base interactions energy: -120.597
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.013
local terms energy: -61.320071
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -132.529078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.529078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.529078 (E_RNA)
where:
Base-Base interactions energy: -75.032
where: short stacking energy: -40.637
Base-Backbone interact. energy: -0.057
local terms energy: -57.440535
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -137.792952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.792952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.792952 (E_RNA)
where:
Base-Base interactions energy: -80.096
where: short stacking energy: -46.679
Base-Backbone interact. energy: -0.114
local terms energy: -57.583102
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -112.432624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.432624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.432624 (E_RNA)
where:
Base-Base interactions energy: -65.087
where: short stacking energy: -37.279
Base-Backbone interact. energy: 3.851
local terms energy: -51.196292
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -85.992953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992953 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.658
local terms energy: -49.635069
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -3.431
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: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -228.668027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.668027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.668027 (E_RNA)
where:
Base-Base interactions energy: -156.030
where: short stacking energy: -62.695
Base-Backbone interact. energy: 0.112
local terms energy: -72.750408
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.680
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: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -229.232303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.232303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.232303 (E_RNA)
where:
Base-Base interactions energy: -163.543
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.551
local terms energy: -65.138519
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.818
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: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -189.674443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.674443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.674443 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.037
local terms energy: -62.338355
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -15.257
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: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -196.185612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.185612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.185612 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -66.739
Base-Backbone interact. energy: 2.132
local terms energy: -69.042638
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -11.619
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: -198.416335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.416335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.416335 (E_RNA)
where:
Base-Base interactions energy: -135.478
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.015
local terms energy: -62.922725
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -195.254545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.254545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.254545 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.069
local terms energy: -73.452296
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -8.517
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: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -137.736183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.736183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.736183 (E_RNA)
where:
Base-Base interactions energy: -79.663
where: short stacking energy: -48.621
Base-Backbone interact. energy: -0.093
local terms energy: -57.980238
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -127.693227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.693227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.693227 (E_RNA)
where:
Base-Base interactions energy: -80.442
where: short stacking energy: -41.206
Base-Backbone interact. energy: 0.467
local terms energy: -47.718134
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -3.750
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: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -99.883415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.883415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.883415 (E_RNA)
where:
Base-Base interactions energy: -54.646
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.541
local terms energy: -44.696176
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -86.469306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.469306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.469306 (E_RNA)
where:
Base-Base interactions energy: -40.281
where: short stacking energy: -27.064
Base-Backbone interact. energy: 0.249
local terms energy: -46.437188
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -232.530865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530865 (E_RNA)
where:
Base-Base interactions energy: -167.389
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.431
local terms energy: -64.711100
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -222.798350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.798350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.798350 (E_RNA)
where:
Base-Base interactions energy: -149.260
where: short stacking energy: -66.209
Base-Backbone interact. energy: -1.300
local terms energy: -72.238582
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -201.254500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.254500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.254500 (E_RNA)
where:
Base-Base interactions energy: -126.053
where: short stacking energy: -64.153
Base-Backbone interact. energy: 0.114
local terms energy: -75.315428
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -189.150523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.150523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.150523 (E_RNA)
where:
Base-Base interactions energy: -118.846
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.005
local terms energy: -70.299771
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.824
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: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -187.514081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.514081 (E_RNA)
where:
Base-Base interactions energy: -133.306
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.519
local terms energy: -53.689480
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -5.474
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -185.032939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.032939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.032939 (E_RNA)
where:
Base-Base interactions energy: -124.899
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.230
local terms energy: -59.903960
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.646
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: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -135.319553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.319553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.319553 (E_RNA)
where:
Base-Base interactions energy: -78.240
where: short stacking energy: -45.506
Base-Backbone interact. energy: -0.083
local terms energy: -56.996984
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -8.356
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: 476
Temperature: 1.250000
Total energy: -132.567879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.567879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.567879 (E_RNA)
where:
Base-Base interactions energy: -72.257
where: short stacking energy: -35.798
Base-Backbone interact. energy: -0.006
local terms energy: -60.304901
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.901832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901832 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -35.418
Base-Backbone interact. energy: -0.366
local terms energy: -46.053571
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -5.781
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -80.528216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528216 (E_RNA)
where:
Base-Base interactions energy: -30.437
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.416
local terms energy: -49.675230
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -232.660586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.660586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.660586 (E_RNA)
where:
Base-Base interactions energy: -167.806
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.437
local terms energy: -64.418088
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -12.262
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: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -222.604563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.604563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.604563 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.215
local terms energy: -71.391501
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -8.894
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -202.730935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730935 (E_RNA)
where:
Base-Base interactions energy: -138.132
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.002
local terms energy: -64.597017
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -203.472745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.472745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.472745 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -57.217
Base-Backbone interact. energy: 0.935
local terms energy: -67.906823
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -14.002
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: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -189.456027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.456027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.456027 (E_RNA)
where:
Base-Base interactions energy: -128.096
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.143
local terms energy: -61.217218
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -7.591
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: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -199.520800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.520800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.520800 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.092
local terms energy: -65.426234
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -141.007019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.007019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.007019 (E_RNA)
where:
Base-Base interactions energy: -77.192
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.018
local terms energy: -63.796967
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -10.049
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: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -125.055976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.055976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.055976 (E_RNA)
where:
Base-Base interactions energy: -67.944
where: short stacking energy: -36.453
Base-Backbone interact. energy: 0.954
local terms energy: -58.065943
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -5.399
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: 477
Temperature: 1.300000
Total energy: -86.933584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933584 (E_RNA)
where:
Base-Base interactions energy: -32.492
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.156
local terms energy: -54.286152
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -137.739112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.739112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.739112 (E_RNA)
where:
Base-Base interactions energy: -81.385
where: short stacking energy: -28.430
Base-Backbone interact. energy: -0.324
local terms energy: -56.029600
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -227.425163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.425163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.425163 (E_RNA)
where:
Base-Base interactions energy: -158.211
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.474
local terms energy: -68.740104
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -224.256192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.256192 (E_RNA)
where:
Base-Base interactions energy: -160.615
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.195
local terms energy: -63.445662
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -199.991829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.991829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.991829 (E_RNA)
where:
Base-Base interactions energy: -131.791
where: short stacking energy: -59.738
Base-Backbone interact. energy: -1.088
local terms energy: -67.112920
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.496
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: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -201.503813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.503813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.503813 (E_RNA)
where:
Base-Base interactions energy: -134.326
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.285
local terms energy: -66.893093
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -201.443397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.443397 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.507
local terms energy: -68.544902
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -7.147
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: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -177.585909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.585909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.585909 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.149
local terms energy: -57.601711
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.546
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: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -137.148305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.148305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.148305 (E_RNA)
where:
Base-Base interactions energy: -83.070
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.200
local terms energy: -53.878670
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -130.926528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.926528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.926528 (E_RNA)
where:
Base-Base interactions energy: -78.255
where: short stacking energy: -47.391
Base-Backbone interact. energy: -0.394
local terms energy: -52.277148
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -7.168
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -118.638729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.638729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.638729 (E_RNA)
where:
Base-Base interactions energy: -70.586
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.211
local terms energy: -47.841458
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: 1.150
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: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -79.902779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902779 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -29.271
Base-Backbone interact. energy: -0.264
local terms energy: -49.380384
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -2.378
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)
out arg RESULTS//1/MVEV-19f6b2d8_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -226.418909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418909 (E_RNA)
where:
Base-Base interactions energy: -155.636
where: short stacking energy: -61.178
Base-Backbone interact. energy: -0.259
local terms energy: -70.524256
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -15.475
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -205.358778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.358778 (E_RNA)
where:
Base-Base interactions energy: -136.720
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.364
local terms energy: -68.275632
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -11.972
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: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -200.145877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145877 (E_RNA)
where:
Base-Base interactions energy: -129.414
where: short stacking energy: -55.058
Base-Backbone interact. energy: 0.739
local terms energy: -71.471107
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.996
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -205.386767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.386767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.386767 (E_RNA)
where:
Base-Base interactions energy: -133.708
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.194
local terms energy: -71.484709
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -196.239084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.239084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.239084 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.049
local terms energy: -67.117528
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -175.772801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.772801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.772801 (E_RNA)
where:
Base-Base interactions energy: -114.660
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.260
local terms energy: -60.852458
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -134.151529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.151529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.151529 (E_RNA)
where:
Base-Base interactions energy: -79.021
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.131
local terms energy: -55.000035
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -136.403568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.403568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.403568 (E_RNA)
where:
Base-Base interactions energy: -72.771
where: short stacking energy: -45.059
Base-Backbone interact. energy: -0.012
local terms energy: -63.621209
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -122.917087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.917087 (E_RNA)
where:
Base-Base interactions energy: -73.642
where: short stacking energy: -36.333
Base-Backbone interact. energy: 0.263
local terms energy: -49.537941
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -77.187224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.187224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.187224 (E_RNA)
where:
Base-Base interactions energy: -43.141
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.823
local terms energy: -33.223242
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.444
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)