SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-9e59f090/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -138.865040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.865040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.865040 (E_RNA)
where:
Base-Base interactions energy: -66.487
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.003
local terms energy: -72.375736
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -128.923886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.923886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.923886 (E_RNA)
where:
Base-Base interactions energy: -63.775
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.191
local terms energy: -64.957925
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.934024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934024 (E_RNA)
where:
Base-Base interactions energy: -60.511
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.679
local terms energy: -55.743749
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -122.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.134121 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.175
local terms energy: -70.609635
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.726585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726585 (E_RNA)
where:
Base-Base interactions energy: -65.638
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.134
local terms energy: -56.953903
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -94.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162013 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.037
local terms energy: -50.365539
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -110.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404563 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.058
local terms energy: -52.809781
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652177 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.207
local terms energy: -60.825053
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.490356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490356 (E_RNA)
where:
Base-Base interactions energy: -16.418
where: short stacking energy: -16.219
Base-Backbone interact. energy: -1.152
local terms energy: -60.920896
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824651 (E_RNA)
where:
Base-Base interactions energy: -0.757
where: short stacking energy: -0.757
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -133.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.569375 (E_RNA)
where:
Base-Base interactions energy: -65.010
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.065
local terms energy: -68.494895
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -143.802214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.802214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.802214 (E_RNA)
where:
Base-Base interactions energy: -70.163
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.015
local terms energy: -73.624091
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.633
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -138.984975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.984975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.984975 (E_RNA)
where:
Base-Base interactions energy: -71.310
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.040
local terms energy: -67.635201
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -11.741
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -137.753367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753367 (E_RNA)
where:
Base-Base interactions energy: -76.048
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.145
local terms energy: -61.560230
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -108.230688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230688 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.082
local terms energy: -69.691040
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -106.288448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288448 (E_RNA)
where:
Base-Base interactions energy: -62.744
where: short stacking energy: -27.002
Base-Backbone interact. energy: -1.251
local terms energy: -42.293068
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -95.574840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.574840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.574840 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.430
local terms energy: -47.072681
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197409 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.145
local terms energy: -46.495107
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319642 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.626
local terms energy: -37.723852
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.585740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585740 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.085
local terms energy: -50.367481
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -122.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.157074 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.090
local terms energy: -68.796857
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -143.368597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.368597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.368597 (E_RNA)
where:
Base-Base interactions energy: -77.275
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.136
local terms energy: -65.957759
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -9.536
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -144.752048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752048 (E_RNA)
where:
Base-Base interactions energy: -84.086
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.653
local terms energy: -60.012666
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -146.237443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.237443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.237443 (E_RNA)
where:
Base-Base interactions energy: -80.244
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.272
local terms energy: -65.722139
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -8.943
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: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -105.232237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.232237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.232237 (E_RNA)
where:
Base-Base interactions energy: -50.391
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.002
local terms energy: -54.838952
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -5.909
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -103.574763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.574763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.574763 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -26.472
Base-Backbone interact. energy: -1.159
local terms energy: -52.227835
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -92.255816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255816 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -34.478
Base-Backbone interact. energy: 0.171
local terms energy: -57.208819
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -79.913545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.913545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.913545 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -22.435
Base-Backbone interact. energy: 2.383
local terms energy: -47.519040
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -92.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064964 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.243
local terms energy: -56.467733
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.825471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825471 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.291
Base-Backbone interact. energy: 0.227
local terms energy: -49.398803
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -142.155395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155395 (E_RNA)
where:
Base-Base interactions energy: -71.763
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.008
local terms energy: -70.384809
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -161.385477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385477 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.824
local terms energy: -63.227894
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -138.259275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.259275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.259275 (E_RNA)
where:
Base-Base interactions energy: -74.373
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.095
local terms energy: -63.791139
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -8.713
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: 5
Temperature: 1.050000
Total energy: -135.392204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.392204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.392204 (E_RNA)
where:
Base-Base interactions energy: -73.901
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.626
local terms energy: -60.865859
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.110
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -118.216670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.216670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.216670 (E_RNA)
where:
Base-Base interactions energy: -62.211
where: short stacking energy: -38.849
Base-Backbone interact. energy: -0.070
local terms energy: -55.935693
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.627
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -93.264784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.264784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.264784 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.082
local terms energy: -55.772430
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -6.583
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: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -91.146666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.146666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.146666 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.175
local terms energy: -57.770686
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.494417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494417 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.074
local terms energy: -44.873968
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.909425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.909425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.909425 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.260
local terms energy: -40.822240
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -99.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075048 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.199
local terms energy: -47.254261
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -164.038255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038255 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.251
local terms energy: -68.097087
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -150.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.706883 (E_RNA)
where:
Base-Base interactions energy: -92.730
where: short stacking energy: -44.128
Base-Backbone interact. energy: -1.008
local terms energy: -56.968378
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -145.900533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.900533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.900533 (E_RNA)
where:
Base-Base interactions energy: -83.345
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.553
local terms energy: -62.002482
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.452
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: 6
Temperature: 1.050000
Total energy: -115.916715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.916715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.916715 (E_RNA)
where:
Base-Base interactions energy: -64.388
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.177
local terms energy: -51.351740
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -126.080458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.080458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.080458 (E_RNA)
where:
Base-Base interactions energy: -56.499
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.081
local terms energy: -69.499883
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -94.414754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.414754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.414754 (E_RNA)
where:
Base-Base interactions energy: -44.107
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.118
local terms energy: -50.189585
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -111.833640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.833640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.833640 (E_RNA)
where:
Base-Base interactions energy: -55.234
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.686
local terms energy: -55.913306
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -88.255584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.255584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.255584 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.472
local terms energy: -46.390063
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -74.916033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916033 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.328
local terms energy: -51.423026
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -81.181915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.181915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.181915 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.030
local terms energy: -51.757292
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -172.037705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037705 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.748
local terms energy: -64.112192
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -156.448255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.448255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.448255 (E_RNA)
where:
Base-Base interactions energy: -80.567
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.241
local terms energy: -75.640357
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -134.545160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.545160 (E_RNA)
where:
Base-Base interactions energy: -77.423
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.124
local terms energy: -56.998608
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -6.913
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: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -116.424206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.424206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.424206 (E_RNA)
where:
Base-Base interactions energy: -58.900
where: short stacking energy: -46.673
Base-Backbone interact. energy: -0.234
local terms energy: -57.290091
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -102.985662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.985662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.985662 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.120
local terms energy: -63.587517
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -109.227504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.227504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.227504 (E_RNA)
where:
Base-Base interactions energy: -50.008
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.360
local terms energy: -58.859030
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.062
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -85.431516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.431516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.431516 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.192
local terms energy: -45.170595
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -2.307
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -81.988066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988066 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.259
local terms energy: -46.520220
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -94.955219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.955219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.955219 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -45.923
Base-Backbone interact. energy: -0.047
local terms energy: -48.984468
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -89.074242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074242 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -28.574
Base-Backbone interact. energy: 3.615
local terms energy: -59.051212
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -169.957660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.957660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.957660 (E_RNA)
where:
Base-Base interactions energy: -107.802
where: short stacking energy: -48.189
Base-Backbone interact. energy: -0.830
local terms energy: -61.325388
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.675
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -157.678440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.678440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.678440 (E_RNA)
where:
Base-Base interactions energy: -92.757
where: short stacking energy: -50.506
Base-Backbone interact. energy: -0.005
local terms energy: -64.915683
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -8.629
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -155.004918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.004918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.004918 (E_RNA)
where:
Base-Base interactions energy: -89.764
where: short stacking energy: -42.132
Base-Backbone interact. energy: -0.203
local terms energy: -65.037465
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -146.353823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.353823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.353823 (E_RNA)
where:
Base-Base interactions energy: -82.629
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.140
local terms energy: -63.584713
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -130.023892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.023892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.023892 (E_RNA)
where:
Base-Base interactions energy: -72.328
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.534
local terms energy: -57.161703
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -96.541541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.541541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.541541 (E_RNA)
where:
Base-Base interactions energy: -40.021
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.191
local terms energy: -56.330414
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -109.387148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.387148 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.771
local terms energy: -56.186419
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -90.765751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765751 (E_RNA)
where:
Base-Base interactions energy: -41.102
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.134
local terms energy: -49.529583
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -79.784608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784608 (E_RNA)
where:
Base-Base interactions energy: -21.725
where: short stacking energy: -20.392
Base-Backbone interact. energy: -0.370
local terms energy: -57.689203
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -78.759039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.759039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.759039 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.141
local terms energy: -47.806209
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -1.222
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: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -173.636736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.636736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.636736 (E_RNA)
where:
Base-Base interactions energy: -106.031
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.087
local terms energy: -67.518447
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -159.574412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.574412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.574412 (E_RNA)
where:
Base-Base interactions energy: -89.491
where: short stacking energy: -46.806
Base-Backbone interact. energy: -0.421
local terms energy: -69.662503
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -150.191097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.191097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.191097 (E_RNA)
where:
Base-Base interactions energy: -83.629
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.082
local terms energy: -66.480475
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -146.481233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.481233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.481233 (E_RNA)
where:
Base-Base interactions energy: -88.510
where: short stacking energy: -44.133
Base-Backbone interact. energy: -0.170
local terms energy: -57.800408
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -106.920786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.920786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.920786 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.022
local terms energy: -61.709530
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -103.567300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.567300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.567300 (E_RNA)
where:
Base-Base interactions energy: -45.356
where: short stacking energy: -45.356
Base-Backbone interact. energy: -0.108
local terms energy: -58.103592
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -102.698500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.698500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.698500 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.455
local terms energy: -48.059862
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -84.575482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575482 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.682
local terms energy: -47.333091
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -81.339218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339218 (E_RNA)
where:
Base-Base interactions energy: -29.725
where: short stacking energy: -20.356
Base-Backbone interact. energy: -1.001
local terms energy: -50.613363
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -2.541
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: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -103.599631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.599631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.599631 (E_RNA)
where:
Base-Base interactions energy: -61.793
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.657
local terms energy: -41.148975
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -8.274
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: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -170.818037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.818037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.818037 (E_RNA)
where:
Base-Base interactions energy: -100.944
where: short stacking energy: -65.361
Base-Backbone interact. energy: -1.092
local terms energy: -68.782093
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -145.816551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.816551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.816551 (E_RNA)
where:
Base-Base interactions energy: -81.611
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.652
local terms energy: -63.553221
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -8.586
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: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -175.276710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.276710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.276710 (E_RNA)
where:
Base-Base interactions energy: -106.454
where: short stacking energy: -61.135
Base-Backbone interact. energy: 0.267
local terms energy: -69.089601
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -9.731
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -145.897550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.897550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.897550 (E_RNA)
where:
Base-Base interactions energy: -86.659
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.646
local terms energy: -58.592980
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -120.700019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.700019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.700019 (E_RNA)
where:
Base-Base interactions energy: -76.125
where: short stacking energy: -37.167
Base-Backbone interact. energy: 0.127
local terms energy: -44.701883
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -124.420013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.420013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.420013 (E_RNA)
where:
Base-Base interactions energy: -74.297
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.439
local terms energy: -49.683968
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -98.983071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.983071 (E_RNA)
where:
Base-Base interactions energy: -46.328
where: short stacking energy: -31.068
Base-Backbone interact. energy: -0.174
local terms energy: -52.480964
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -92.989967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989967 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.208
local terms energy: -56.408450
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -81.454622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.454622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.454622 (E_RNA)
where:
Base-Base interactions energy: -37.641
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.246
local terms energy: -43.567379
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -75.972570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.972570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.972570 (E_RNA)
where:
Base-Base interactions energy: -21.680
where: short stacking energy: -20.374
Base-Backbone interact. energy: -0.414
local terms energy: -53.878311
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.427
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: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -167.727231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.727231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.727231 (E_RNA)
where:
Base-Base interactions energy: -98.412
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.145
local terms energy: -69.169746
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -13.100
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: 11
Temperature: 0.950000
Total energy: -187.703515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.703515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.703515 (E_RNA)
where:
Base-Base interactions energy: -118.656
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.089
local terms energy: -68.957956
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.853
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -137.743125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.743125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.743125 (E_RNA)
where:
Base-Base interactions energy: -73.877
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.191
local terms energy: -63.675483
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -144.288808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.288808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.288808 (E_RNA)
where:
Base-Base interactions energy: -91.986
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.176
local terms energy: -52.126699
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -9.839
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: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -134.395127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.395127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.395127 (E_RNA)
where:
Base-Base interactions energy: -76.644
where: short stacking energy: -51.227
Base-Backbone interact. energy: -0.709
local terms energy: -57.042829
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -9.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -142.948566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.948566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.948566 (E_RNA)
where:
Base-Base interactions energy: -78.920
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.163
local terms energy: -63.865258
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -99.681089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.681089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.681089 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.003
local terms energy: -60.575006
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -7.758
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -85.852757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.852757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.852757 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -30.982
Base-Backbone interact. energy: 2.282
local terms energy: -56.296454
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.570396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570396 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -26.627
Base-Backbone interact. energy: 1.212
local terms energy: -46.138029
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: 1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -85.805012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.805012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.805012 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.348
local terms energy: -45.019163
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -202.473722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473722 (E_RNA)
where:
Base-Base interactions energy: -133.115
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.056
local terms energy: -69.302943
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -165.068434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.068434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.068434 (E_RNA)
where:
Base-Base interactions energy: -101.010
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.126
local terms energy: -63.932207
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -10.794
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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -142.457215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.457215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.457215 (E_RNA)
where:
Base-Base interactions energy: -84.831
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.321
local terms energy: -57.305029
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.194
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -177.702172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.702172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.702172 (E_RNA)
where:
Base-Base interactions energy: -113.300
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.136
local terms energy: -64.265826
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -165.674124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.674124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.674124 (E_RNA)
where:
Base-Base interactions energy: -98.071
where: short stacking energy: -44.745
Base-Backbone interact. energy: -0.226
local terms energy: -67.377922
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.286
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: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -97.656004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.656004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.656004 (E_RNA)
where:
Base-Base interactions energy: -41.176
where: short stacking energy: -36.545
Base-Backbone interact. energy: 0.217
local terms energy: -56.696589
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -94.524810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.524810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.524810 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -21.008
Base-Backbone interact. energy: -0.281
local terms energy: -54.233910
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -6.278
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: 12
Temperature: 1.250000
Total energy: -103.125326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125326 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.179
local terms energy: -55.286486
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -3.722
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: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -82.512588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.512588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.512588 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.176
local terms energy: -42.429304
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: -4.424
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: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -72.072470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.072470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.072470 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -23.342
Base-Backbone interact. energy: 0.138
local terms energy: -48.482267
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -204.162706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.162706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162706 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -69.973
Base-Backbone interact. energy: -1.287
local terms energy: -61.016037
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -165.452521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.452521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.452521 (E_RNA)
where:
Base-Base interactions energy: -100.291
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.308
local terms energy: -64.853658
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.849
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -149.786466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.786466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.786466 (E_RNA)
where:
Base-Base interactions energy: -85.386
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.061
local terms energy: -64.339891
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -189.141125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.141125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.141125 (E_RNA)
where:
Base-Base interactions energy: -131.221
where: short stacking energy: -51.216
Base-Backbone interact. energy: 0.806
local terms energy: -58.726261
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -177.078056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.078056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.078056 (E_RNA)
where:
Base-Base interactions energy: -114.617
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.429
local terms energy: -62.031313
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.954
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: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -101.170352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.170352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.170352 (E_RNA)
where:
Base-Base interactions energy: -46.247
where: short stacking energy: -35.953
Base-Backbone interact. energy: -0.088
local terms energy: -54.834477
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -104.441351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.441351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.441351 (E_RNA)
where:
Base-Base interactions energy: -46.766
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.376
local terms energy: -57.298677
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -3.063
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: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -104.390374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.390374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.390374 (E_RNA)
where:
Base-Base interactions energy: -42.109
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.010
local terms energy: -62.270942
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -76.422791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.422791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.422791 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -24.259
Base-Backbone interact. energy: 0.067
local terms energy: -52.230762
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -76.089809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.089809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.089809 (E_RNA)
where:
Base-Base interactions energy: -26.320
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.042
local terms energy: -49.728316
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -202.341444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.341444 (E_RNA)
where:
Base-Base interactions energy: -134.162
where: short stacking energy: -62.822
Base-Backbone interact. energy: -0.093
local terms energy: -68.086702
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -152.137801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.137801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.137801 (E_RNA)
where:
Base-Base interactions energy: -86.230
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.059
local terms energy: -65.849126
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -176.695884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.695884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.695884 (E_RNA)
where:
Base-Base interactions energy: -109.493
where: short stacking energy: -44.738
Base-Backbone interact. energy: -0.204
local terms energy: -66.998349
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -7.716
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: 14
Temperature: 1.050000
Total energy: -161.774121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.774121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.774121 (E_RNA)
where:
Base-Base interactions energy: -102.552
where: short stacking energy: -40.758
Base-Backbone interact. energy: -0.125
local terms energy: -59.097400
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -12.309
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: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -174.393668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.393668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393668 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -47.819
Base-Backbone interact. energy: -0.735
local terms energy: -60.788468
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -10.516
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: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -99.958752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.958752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.958752 (E_RNA)
where:
Base-Base interactions energy: -45.136
where: short stacking energy: -29.853
Base-Backbone interact. energy: -0.398
local terms energy: -54.424727
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -10.288
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: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -101.190071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190071 (E_RNA)
where:
Base-Base interactions energy: -47.823
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.053
local terms energy: -53.313354
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -93.075384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075384 (E_RNA)
where:
Base-Base interactions energy: -49.851
where: short stacking energy: -48.458
Base-Backbone interact. energy: 0.906
local terms energy: -44.129929
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -79.746110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.746110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.746110 (E_RNA)
where:
Base-Base interactions energy: -32.406
where: short stacking energy: -26.682
Base-Backbone interact. energy: -0.103
local terms energy: -47.236621
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -4.512
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -77.457251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457251 (E_RNA)
where:
Base-Base interactions energy: -32.046
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.133
local terms energy: -45.278741
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -212.333362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.333362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.333362 (E_RNA)
where:
Base-Base interactions energy: -141.529
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.041
local terms energy: -70.763402
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -12.008
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: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -185.041453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.041453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.041453 (E_RNA)
where:
Base-Base interactions energy: -124.552
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.935
local terms energy: -59.554397
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -10.728
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: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -149.305470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.305470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.305470 (E_RNA)
where:
Base-Base interactions energy: -87.009
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.042
local terms energy: -62.254995
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -172.226085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.226085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.226085 (E_RNA)
where:
Base-Base interactions energy: -107.311
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.517
local terms energy: -64.398269
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -10.117
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: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -172.466201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.466201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.466201 (E_RNA)
where:
Base-Base interactions energy: -107.494
where: short stacking energy: -45.430
Base-Backbone interact. energy: -0.625
local terms energy: -64.347079
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -9.149
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: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -99.635195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.635195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.635195 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -30.399
Base-Backbone interact. energy: 0.164
local terms energy: -53.108365
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -89.845374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.845374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.845374 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.172
local terms energy: -51.409061
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -89.631589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.631589 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -32.407
Base-Backbone interact. energy: -0.066
local terms energy: -53.391767
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -75.471066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.471066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.471066 (E_RNA)
where:
Base-Base interactions energy: -33.965
where: short stacking energy: -21.417
Base-Backbone interact. energy: -0.897
local terms energy: -40.608661
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -80.574380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574380 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.158
local terms energy: -45.858499
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -194.248016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.248016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.248016 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -45.071
Base-Backbone interact. energy: 1.045
local terms energy: -66.774788
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -8.723
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: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -204.098624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.098624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098624 (E_RNA)
where:
Base-Base interactions energy: -133.366
where: short stacking energy: -66.272
Base-Backbone interact. energy: 1.958
local terms energy: -72.690032
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -169.668518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.668518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.668518 (E_RNA)
where:
Base-Base interactions energy: -106.946
where: short stacking energy: -48.761
Base-Backbone interact. energy: -1.310
local terms energy: -61.411978
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -144.353472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.353472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.353472 (E_RNA)
where:
Base-Base interactions energy: -84.678
where: short stacking energy: -45.510
Base-Backbone interact. energy: 0.050
local terms energy: -59.725212
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -165.434763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.434763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.434763 (E_RNA)
where:
Base-Base interactions energy: -110.818
where: short stacking energy: -48.655
Base-Backbone interact. energy: -0.467
local terms energy: -54.149970
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -145.748408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.748408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.748408 (E_RNA)
where:
Base-Base interactions energy: -97.256
where: short stacking energy: -39.714
Base-Backbone interact. energy: -0.077
local terms energy: -48.415475
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -95.119555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119555 (E_RNA)
where:
Base-Base interactions energy: -43.619
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.211
local terms energy: -51.289347
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.392
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: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -87.631625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631625 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.054
local terms energy: -54.326254
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -1.832
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: 16
Temperature: 1.300000
Total energy: -89.547144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.547144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.547144 (E_RNA)
where:
Base-Base interactions energy: -54.155
where: short stacking energy: -38.479
Base-Backbone interact. energy: 0.133
local terms energy: -35.525503
where:
bonds (distance) C4'-P energy: -6.762
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -5.734
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.116291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116291 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.085
local terms energy: -54.800535
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -194.520623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.520623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.520623 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.108
local terms energy: -69.397667
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -12.659
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: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -197.564436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564436 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.003
local terms energy: -67.449796
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -14.694
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -182.040009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.040009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.040009 (E_RNA)
where:
Base-Base interactions energy: -117.042
where: short stacking energy: -48.871
Base-Backbone interact. energy: -0.114
local terms energy: -64.883882
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -188.183729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.183729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.183729 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -55.341
Base-Backbone interact. energy: -0.430
local terms energy: -63.294412
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -141.281342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.281342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.281342 (E_RNA)
where:
Base-Base interactions energy: -80.619
where: short stacking energy: -50.601
Base-Backbone interact. energy: 0.457
local terms energy: -61.118634
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -139.126114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.126114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.126114 (E_RNA)
where:
Base-Base interactions energy: -86.798
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.180
local terms energy: -52.147311
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -93.120420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120420 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.182
local terms energy: -51.879932
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -86.469939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.469939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.469939 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.241
local terms energy: -50.753664
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -85.377266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377266 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.112
local terms energy: -53.147773
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -76.512923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.512923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.512923 (E_RNA)
where:
Base-Base interactions energy: -38.548
where: short stacking energy: -26.767
Base-Backbone interact. energy: -0.703
local terms energy: -37.261392
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -6.976
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -205.532076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.532076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.532076 (E_RNA)
where:
Base-Base interactions energy: -133.322
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.091
local terms energy: -72.119934
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -195.471026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.471026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.471026 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -54.107
Base-Backbone interact. energy: -0.097
local terms energy: -62.615519
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -189.295931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.295931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.295931 (E_RNA)
where:
Base-Base interactions energy: -125.528
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.181
local terms energy: -63.586932
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -170.615627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.615627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.615627 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.053
local terms energy: -69.966895
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -12.191
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: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -148.027230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.027230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.027230 (E_RNA)
where:
Base-Base interactions energy: -85.341
where: short stacking energy: -53.315
Base-Backbone interact. energy: -0.280
local terms energy: -62.406219
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.775
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: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -113.693491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.693491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.693491 (E_RNA)
where:
Base-Base interactions energy: -52.864
where: short stacking energy: -42.853
Base-Backbone interact. energy: -0.026
local terms energy: -60.803924
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -9.447
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -89.505362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505362 (E_RNA)
where:
Base-Base interactions energy: -41.616
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.857
local terms energy: -47.031658
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -2.121
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: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -88.097901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.097901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.097901 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.257
local terms energy: -54.736059
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -78.870031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.870031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.870031 (E_RNA)
where:
Base-Base interactions energy: -27.797
where: short stacking energy: -12.479
Base-Backbone interact. energy: -0.532
local terms energy: -50.541608
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: 2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -80.137517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137517 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.296
local terms energy: -40.799730
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -205.848369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.848369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.848369 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.001
local terms energy: -74.140821
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -204.605250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605250 (E_RNA)
where:
Base-Base interactions energy: -135.203
where: short stacking energy: -57.888
Base-Backbone interact. energy: -0.608
local terms energy: -68.794039
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.200
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -193.562726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.562726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562726 (E_RNA)
where:
Base-Base interactions energy: -128.522
where: short stacking energy: -62.654
Base-Backbone interact. energy: 2.589
local terms energy: -67.629203
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -12.648
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: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -216.321743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.321743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.321743 (E_RNA)
where:
Base-Base interactions energy: -140.818
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.324
local terms energy: -75.180390
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.736
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: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -148.423727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.423727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.423727 (E_RNA)
where:
Base-Base interactions energy: -80.982
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.033
local terms energy: -67.408419
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -107.661337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.661337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.661337 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -40.495
Base-Backbone interact. energy: -0.694
local terms energy: -65.158310
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.667
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: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -90.840689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.840689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.840689 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -20.969
Base-Backbone interact. energy: -0.110
local terms energy: -50.424768
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -83.124062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.124062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.124062 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -23.096
Base-Backbone interact. energy: 0.249
local terms energy: -37.884074
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -85.680949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680949 (E_RNA)
where:
Base-Base interactions energy: -26.290
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.189
local terms energy: -59.201996
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -72.195367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.195367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.195367 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.186
local terms energy: -42.508400
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -5.480
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -211.141524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141524 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -61.672
Base-Backbone interact. energy: -0.131
local terms energy: -71.701789
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -197.052282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.052282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.052282 (E_RNA)
where:
Base-Base interactions energy: -123.416
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.029
local terms energy: -73.606966
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -227.258340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.258340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.258340 (E_RNA)
where:
Base-Base interactions energy: -144.432
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.044
local terms energy: -82.782135
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -192.623441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.623441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623441 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.337
local terms energy: -69.514731
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -149.746110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.746110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.746110 (E_RNA)
where:
Base-Base interactions energy: -86.293
where: short stacking energy: -46.561
Base-Backbone interact. energy: 0.086
local terms energy: -63.539311
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -147.464500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.464500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.464500 (E_RNA)
where:
Base-Base interactions energy: -85.223
where: short stacking energy: -45.949
Base-Backbone interact. energy: -0.380
local terms energy: -61.862018
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -9.033
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: 20
Temperature: 1.200000
Total energy: -83.486887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.486887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.486887 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.077
local terms energy: -53.513660
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -7.251
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: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.169546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.169546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.169546 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -25.138
Base-Backbone interact. energy: -1.234
local terms energy: -53.378084
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -82.006523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006523 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -33.388
Base-Backbone interact. energy: -0.075
local terms energy: -48.543085
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -3.355
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -94.495152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.495152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.495152 (E_RNA)
where:
Base-Base interactions energy: -50.140
where: short stacking energy: -23.190
Base-Backbone interact. energy: -0.642
local terms energy: -43.713597
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -203.530506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.530506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.530506 (E_RNA)
where:
Base-Base interactions energy: -136.222
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.109
local terms energy: -67.199785
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -8.193
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: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -221.795376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795376 (E_RNA)
where:
Base-Base interactions energy: -146.015
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.175
local terms energy: -75.605235
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -207.225793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.225793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.225793 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -65.462
Base-Backbone interact. energy: 0.133
local terms energy: -70.003586
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -7.260
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -199.279190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.279190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.279190 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.286
local terms energy: -68.323106
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -12.010
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: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -160.600849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.600849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.600849 (E_RNA)
where:
Base-Base interactions energy: -106.065
where: short stacking energy: -48.217
Base-Backbone interact. energy: -0.096
local terms energy: -54.440142
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -150.069816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.069816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.069816 (E_RNA)
where:
Base-Base interactions energy: -88.834
where: short stacking energy: -51.258
Base-Backbone interact. energy: -0.148
local terms energy: -61.087849
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -89.099561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.099561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.099561 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -32.159
Base-Backbone interact. energy: -0.107
local terms energy: -55.714063
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -90.430209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430209 (E_RNA)
where:
Base-Base interactions energy: -44.241
where: short stacking energy: -32.578
Base-Backbone interact. energy: 0.528
local terms energy: -46.717764
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -81.346197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346197 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.034
local terms energy: -51.507511
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -9.520
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: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -76.886290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.886290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.886290 (E_RNA)
where:
Base-Base interactions energy: -33.612
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.121
local terms energy: -43.153828
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.640
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: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -227.945739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.945739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.945739 (E_RNA)
where:
Base-Base interactions energy: -150.280
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.031
local terms energy: -77.634967
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -21.566
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: 22
Temperature: 0.950000
Total energy: -198.503326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.503326 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -55.478
Base-Backbone interact. energy: 0.458
local terms energy: -64.945134
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -205.828478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828478 (E_RNA)
where:
Base-Base interactions energy: -133.545
where: short stacking energy: -62.416
Base-Backbone interact. energy: -0.001
local terms energy: -72.282724
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -180.915917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.915917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.915917 (E_RNA)
where:
Base-Base interactions energy: -130.418
where: short stacking energy: -51.502
Base-Backbone interact. energy: -0.163
local terms energy: -50.334550
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -1.986
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -164.214216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.214216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.214216 (E_RNA)
where:
Base-Base interactions energy: -96.819
where: short stacking energy: -47.133
Base-Backbone interact. energy: -0.430
local terms energy: -66.964912
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -137.943718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.943718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.943718 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -45.462
Base-Backbone interact. energy: -0.039
local terms energy: -49.185291
where:
bonds (distance) C4'-P energy: -5.740
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.198
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: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -90.250672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.250672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.250672 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.352
local terms energy: -54.805853
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -88.047896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047896 (E_RNA)
where:
Base-Base interactions energy: -35.498
where: short stacking energy: -35.498
Base-Backbone interact. energy: 1.181
local terms energy: -53.731673
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -92.252710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.252710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.252710 (E_RNA)
where:
Base-Base interactions energy: -41.118
where: short stacking energy: -25.913
Base-Backbone interact. energy: -0.110
local terms energy: -51.025110
where:
bonds (distance) C4'-P energy: -3.997
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -80.767775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767775 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.097
local terms energy: -46.669015
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -228.843722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.843722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.843722 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -72.120
Base-Backbone interact. energy: -0.367
local terms energy: -82.630804
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -22.169
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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -213.176109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.176109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.176109 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.497
local terms energy: -71.633326
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -180.370365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370365 (E_RNA)
where:
Base-Base interactions energy: -115.145
where: short stacking energy: -50.832
Base-Backbone interact. energy: -0.770
local terms energy: -64.455848
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -8.473
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: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -172.415911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.415911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.415911 (E_RNA)
where:
Base-Base interactions energy: -108.343
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.294
local terms energy: -63.779332
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -11.130
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -167.887835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.887835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.887835 (E_RNA)
where:
Base-Base interactions energy: -96.619
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.146
local terms energy: -71.123018
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -157.482656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.482656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.482656 (E_RNA)
where:
Base-Base interactions energy: -106.447
where: short stacking energy: -37.409
Base-Backbone interact. energy: 0.428
local terms energy: -51.463806
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -88.876371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.876371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.876371 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.048
local terms energy: -52.618619
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -1.558
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: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -87.841861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841861 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -30.270
Base-Backbone interact. energy: 1.125
local terms energy: -56.244582
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -90.820778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.820778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.820778 (E_RNA)
where:
Base-Base interactions energy: -31.093
where: short stacking energy: -31.093
Base-Backbone interact. energy: -0.034
local terms energy: -59.693669
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -4.913
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: 23
Temperature: 1.350000
Total energy: -77.973307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.973307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.973307 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -24.179
Base-Backbone interact. energy: 0.767
local terms energy: -50.978778
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -227.470365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.470365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.470365 (E_RNA)
where:
Base-Base interactions energy: -158.429
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.276
local terms energy: -68.766009
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -203.393948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.393948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.393948 (E_RNA)
where:
Base-Base interactions energy: -133.571
where: short stacking energy: -73.260
Base-Backbone interact. energy: 1.337
local terms energy: -71.160368
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -7.912
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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -179.790256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.790256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.790256 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -51.929
Base-Backbone interact. energy: -0.141
local terms energy: -62.251386
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -188.482511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.482511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.482511 (E_RNA)
where:
Base-Base interactions energy: -121.191
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.144
local terms energy: -67.147738
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -170.684023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.684023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.684023 (E_RNA)
where:
Base-Base interactions energy: -102.759
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.769
local terms energy: -67.155958
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -6.158
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: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -137.040121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.040121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.040121 (E_RNA)
where:
Base-Base interactions energy: -80.735
where: short stacking energy: -48.259
Base-Backbone interact. energy: -0.182
local terms energy: -56.123287
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -5.718
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: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -108.001372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.001372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.001372 (E_RNA)
where:
Base-Base interactions energy: -52.287
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.111
local terms energy: -55.603527
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -86.644415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.644415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.644415 (E_RNA)
where:
Base-Base interactions energy: -43.526
where: short stacking energy: -27.624
Base-Backbone interact. energy: -0.821
local terms energy: -42.297537
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -94.497481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497481 (E_RNA)
where:
Base-Base interactions energy: -41.879
where: short stacking energy: -41.577
Base-Backbone interact. energy: -0.080
local terms energy: -52.538750
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -1.602
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -77.282810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.282810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.282810 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -22.517
Base-Backbone interact. energy: -0.024
local terms energy: -52.156974
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -229.584672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.584672 (E_RNA)
where:
Base-Base interactions energy: -150.815
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.002
local terms energy: -78.767868
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -179.780193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780193 (E_RNA)
where:
Base-Base interactions energy: -119.471
where: short stacking energy: -48.662
Base-Backbone interact. energy: -0.215
local terms energy: -60.093935
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -3.561
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: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -193.478806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.478806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.478806 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.123
local terms energy: -74.575169
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -189.096136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.096136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.096136 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -63.178
Base-Backbone interact. energy: 0.873
local terms energy: -66.467411
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -157.416815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.416815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.416815 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.186
local terms energy: -64.464866
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -10.623
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: 25
Temperature: 1.150000
Total energy: -123.645085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.645085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.645085 (E_RNA)
where:
Base-Base interactions energy: -65.390
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.230
local terms energy: -58.025324
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.854
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -99.418442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.418442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.418442 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.141
local terms energy: -56.783145
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.371
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: 25
Temperature: 1.250000
Total energy: -93.703776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703776 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.613
local terms energy: -51.070973
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -79.796315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796315 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.114
local terms energy: -46.131156
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.024117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.024117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.024117 (E_RNA)
where:
Base-Base interactions energy: -39.808
where: short stacking energy: -27.772
Base-Backbone interact. energy: 1.708
local terms energy: -36.924152
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -2.412
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: 0.620
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: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -229.688722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.688722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.688722 (E_RNA)
where:
Base-Base interactions energy: -148.975
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.017
local terms energy: -80.696907
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -183.541861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.541861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.541861 (E_RNA)
where:
Base-Base interactions energy: -127.851
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.606
local terms energy: -55.084552
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: 3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -206.289884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.289884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.289884 (E_RNA)
where:
Base-Base interactions energy: -139.134
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.641
local terms energy: -66.514197
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.597
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: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -182.304439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.304439 (E_RNA)
where:
Base-Base interactions energy: -116.761
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.063
local terms energy: -65.480893
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -148.727397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.727397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.727397 (E_RNA)
where:
Base-Base interactions energy: -87.085
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.293
local terms energy: -61.348906
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.892
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: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -128.109214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.109214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.109214 (E_RNA)
where:
Base-Base interactions energy: -71.380
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.186
local terms energy: -56.543650
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -99.938746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.938746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.938746 (E_RNA)
where:
Base-Base interactions energy: -48.410
where: short stacking energy: -31.559
Base-Backbone interact. energy: 0.990
local terms energy: -52.518954
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -3.776
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: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -85.562955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562955 (E_RNA)
where:
Base-Base interactions energy: -41.296
where: short stacking energy: -33.961
Base-Backbone interact. energy: 0.793
local terms energy: -45.060474
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -7.450
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -6.082
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: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -80.867176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.867176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.867176 (E_RNA)
where:
Base-Base interactions energy: -26.552
where: short stacking energy: -21.240
Base-Backbone interact. energy: -1.044
local terms energy: -53.271009
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.084675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084675 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -25.481
Base-Backbone interact. energy: -0.723
local terms energy: -40.603639
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -218.147676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.147676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.147676 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -68.723
Base-Backbone interact. energy: -1.084
local terms energy: -73.073231
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -209.990414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.990414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.990414 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.004
local terms energy: -76.355128
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -197.112558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.112558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.112558 (E_RNA)
where:
Base-Base interactions energy: -134.562
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.474
local terms energy: -62.077085
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -7.850
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: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -188.380331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.380331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.380331 (E_RNA)
where:
Base-Base interactions energy: -120.303
where: short stacking energy: -54.617
Base-Backbone interact. energy: -0.103
local terms energy: -67.973862
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -9.752
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -142.447767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.447767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.447767 (E_RNA)
where:
Base-Base interactions energy: -80.504
where: short stacking energy: -43.245
Base-Backbone interact. energy: -0.134
local terms energy: -61.810415
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -108.562691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.562691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.562691 (E_RNA)
where:
Base-Base interactions energy: -53.101
where: short stacking energy: -48.563
Base-Backbone interact. energy: -1.385
local terms energy: -54.076828
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -10.917
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: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -141.729443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.729443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.729443 (E_RNA)
where:
Base-Base interactions energy: -85.873
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.694
local terms energy: -55.163103
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -8.740
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -94.166119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.166119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.166119 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -30.091
Base-Backbone interact. energy: -0.165
local terms energy: -59.439709
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -8.856
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -81.625791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.625791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.625791 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.763
local terms energy: -49.427025
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.717101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717101 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.082
local terms energy: -46.005036
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -229.121048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.121048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.121048 (E_RNA)
where:
Base-Base interactions energy: -152.370
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.006
local terms energy: -76.744714
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -205.687551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.687551 (E_RNA)
where:
Base-Base interactions energy: -138.086
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.034
local terms energy: -67.567099
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -194.384288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.384288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.384288 (E_RNA)
where:
Base-Base interactions energy: -136.688
where: short stacking energy: -58.517
Base-Backbone interact. energy: -1.000
local terms energy: -56.696258
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -186.108993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.108993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.108993 (E_RNA)
where:
Base-Base interactions energy: -112.941
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.015
local terms energy: -73.152874
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.986
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: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -105.715985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.715985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.715985 (E_RNA)
where:
Base-Base interactions energy: -49.557
where: short stacking energy: -44.899
Base-Backbone interact. energy: 1.145
local terms energy: -57.304746
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -147.242225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.242225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.242225 (E_RNA)
where:
Base-Base interactions energy: -87.508
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.279
local terms energy: -59.454979
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -6.412
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: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -137.322952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.322952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.322952 (E_RNA)
where:
Base-Base interactions energy: -80.836
where: short stacking energy: -47.626
Base-Backbone interact. energy: 0.310
local terms energy: -56.797407
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.918715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.918715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.918715 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.529
local terms energy: -56.786473
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -10.573
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -77.861414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.861414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.861414 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.135
local terms energy: -44.883328
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -76.374489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374489 (E_RNA)
where:
Base-Base interactions energy: -26.002
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.014
local terms energy: -50.358460
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: 1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -228.545992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.545992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.545992 (E_RNA)
where:
Base-Base interactions energy: -147.702
where: short stacking energy: -73.872
Base-Backbone interact. energy: -0.419
local terms energy: -80.424557
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -191.964816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.964816 (E_RNA)
where:
Base-Base interactions energy: -130.436
where: short stacking energy: -54.450
Base-Backbone interact. energy: -0.064
local terms energy: -61.464895
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -200.100728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.100728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.100728 (E_RNA)
where:
Base-Base interactions energy: -133.056
where: short stacking energy: -52.990
Base-Backbone interact. energy: -0.716
local terms energy: -66.328874
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -184.511368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.511368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.511368 (E_RNA)
where:
Base-Base interactions energy: -118.335
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.065
local terms energy: -66.110951
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -98.447914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.447914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.447914 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.074
local terms energy: -61.048579
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -155.049408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.049408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.049408 (E_RNA)
where:
Base-Base interactions energy: -91.161
where: short stacking energy: -57.515
Base-Backbone interact. energy: -0.002
local terms energy: -63.887168
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -135.057255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.057255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.057255 (E_RNA)
where:
Base-Base interactions energy: -78.117
where: short stacking energy: -48.952
Base-Backbone interact. energy: -1.088
local terms energy: -55.852276
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -91.238414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.238414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.238414 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -24.527
Base-Backbone interact. energy: -0.048
local terms energy: -46.776804
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -10.158
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: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -77.863002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863002 (E_RNA)
where:
Base-Base interactions energy: -25.495
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.100
local terms energy: -52.267426
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -79.125667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.125667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.125667 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -25.720
Base-Backbone interact. energy: -0.180
local terms energy: -41.555563
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -5.071
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -228.607191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.607191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.607191 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -71.399
Base-Backbone interact. energy: -0.617
local terms energy: -80.624482
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -202.664013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.664013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.664013 (E_RNA)
where:
Base-Base interactions energy: -132.679
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.017
local terms energy: -69.967993
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -201.884487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.884487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.884487 (E_RNA)
where:
Base-Base interactions energy: -128.067
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.011
local terms energy: -73.806326
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.032
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -187.515221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.515221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.515221 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.167
local terms energy: -55.832712
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -156.906480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.906480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.906480 (E_RNA)
where:
Base-Base interactions energy: -96.934
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.002
local terms energy: -59.970766
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -98.757848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.757848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.757848 (E_RNA)
where:
Base-Base interactions energy: -41.379
where: short stacking energy: -41.379
Base-Backbone interact. energy: 1.609
local terms energy: -58.987341
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -94.091385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.091385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.091385 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -40.213
Base-Backbone interact. energy: -0.090
local terms energy: -53.787606
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -11.936
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -123.457272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.457272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.457272 (E_RNA)
where:
Base-Base interactions energy: -76.435
where: short stacking energy: -36.745
Base-Backbone interact. energy: -0.941
local terms energy: -46.081236
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -82.141730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.141730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.141730 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -32.015
Base-Backbone interact. energy: 0.190
local terms energy: -49.238367
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -76.219798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.219798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.219798 (E_RNA)
where:
Base-Base interactions energy: -25.675
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.135
local terms energy: -50.409995
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -227.068918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.068918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.068918 (E_RNA)
where:
Base-Base interactions energy: -145.818
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.000
local terms energy: -81.251025
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -21.076
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: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -220.553007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.553007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.553007 (E_RNA)
where:
Base-Base interactions energy: -141.208
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.152
local terms energy: -79.193091
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -198.363518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.363518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.363518 (E_RNA)
where:
Base-Base interactions energy: -124.881
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.031
local terms energy: -73.450738
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -18.067
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -186.021169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.021169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021169 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.050
local terms energy: -64.775458
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -174.113627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.113627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.113627 (E_RNA)
where:
Base-Base interactions energy: -115.161
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.447
local terms energy: -58.505058
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -11.171
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -108.419293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.419293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.419293 (E_RNA)
where:
Base-Base interactions energy: -52.121
where: short stacking energy: -52.121
Base-Backbone interact. energy: -0.455
local terms energy: -55.843291
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -83.363455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363455 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.178
local terms energy: -55.971901
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -115.098462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.098462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.098462 (E_RNA)
where:
Base-Base interactions energy: -64.410
where: short stacking energy: -36.747
Base-Backbone interact. energy: -0.201
local terms energy: -50.487289
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -74.572356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.572356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.572356 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.204
local terms energy: -43.552800
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -105.576797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576797 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -39.507
Base-Backbone interact. energy: -0.361
local terms energy: -57.915942
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -233.214380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.214380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.214380 (E_RNA)
where:
Base-Base interactions energy: -158.079
where: short stacking energy: -75.987
Base-Backbone interact. energy: -0.003
local terms energy: -75.131823
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -217.139846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.139846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139846 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -60.503
Base-Backbone interact. energy: -1.037
local terms energy: -72.917728
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -198.471102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.471102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.471102 (E_RNA)
where:
Base-Base interactions energy: -128.689
where: short stacking energy: -53.236
Base-Backbone interact. energy: -0.058
local terms energy: -69.724781
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.816
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -155.321202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.321202 (E_RNA)
where:
Base-Base interactions energy: -95.910
where: short stacking energy: -46.814
Base-Backbone interact. energy: 0.692
local terms energy: -60.102900
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -109.304748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.304748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.304748 (E_RNA)
where:
Base-Base interactions energy: -46.909
where: short stacking energy: -40.520
Base-Backbone interact. energy: 0.184
local terms energy: -62.579914
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.682
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: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -131.529878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.529878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.529878 (E_RNA)
where:
Base-Base interactions energy: -70.774
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.086
local terms energy: -60.669940
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.072
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: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -92.637989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.637989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.637989 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.026
local terms energy: -59.097798
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -92.657428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.657428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.657428 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -34.314
Base-Backbone interact. energy: -0.100
local terms energy: -57.379774
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -7.145
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: 32
Temperature: 1.300000
Total energy: -80.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.141804 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.058
local terms energy: -41.880284
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -68.976351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.976351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.976351 (E_RNA)
where:
Base-Base interactions energy: -21.898
where: short stacking energy: -21.896
Base-Backbone interact. energy: 0.235
local terms energy: -47.313634
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: 4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -237.383934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.383934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.383934 (E_RNA)
where:
Base-Base interactions energy: -159.488
where: short stacking energy: -77.115
Base-Backbone interact. energy: -0.001
local terms energy: -77.894122
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -22.239
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: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -224.270412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.270412 (E_RNA)
where:
Base-Base interactions energy: -151.511
where: short stacking energy: -65.543
Base-Backbone interact. energy: 0.746
local terms energy: -73.505499
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -205.945242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945242 (E_RNA)
where:
Base-Base interactions energy: -127.572
where: short stacking energy: -69.607
Base-Backbone interact. energy: -0.062
local terms energy: -78.311300
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -151.684218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.684218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.684218 (E_RNA)
where:
Base-Base interactions energy: -87.531
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.344
local terms energy: -63.808676
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -122.994643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.994643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.994643 (E_RNA)
where:
Base-Base interactions energy: -57.982
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.184
local terms energy: -64.827912
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -8.650
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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -137.803244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.803244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.803244 (E_RNA)
where:
Base-Base interactions energy: -79.158
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.092
local terms energy: -58.552721
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.056449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.056449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.056449 (E_RNA)
where:
Base-Base interactions energy: -49.639
where: short stacking energy: -38.689
Base-Backbone interact. energy: -0.105
local terms energy: -53.311598
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -83.119611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119611 (E_RNA)
where:
Base-Base interactions energy: -30.573
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.171
local terms energy: -52.375216
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -9.368
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -81.169299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.169299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.169299 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -15.953
Base-Backbone interact. energy: 0.011
local terms energy: -45.856103
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -94.761630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.761630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.761630 (E_RNA)
where:
Base-Base interactions energy: -43.208
where: short stacking energy: -27.659
Base-Backbone interact. energy: 0.188
local terms energy: -51.741733
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -225.995593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.995593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.995593 (E_RNA)
where:
Base-Base interactions energy: -155.652
where: short stacking energy: -61.825
Base-Backbone interact. energy: -1.063
local terms energy: -69.280609
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -225.588891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.588891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.588891 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.042
local terms energy: -75.539238
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -204.325142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.325142 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -72.689
Base-Backbone interact. energy: -0.003
local terms energy: -60.837784
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -168.938535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.938535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.938535 (E_RNA)
where:
Base-Base interactions energy: -107.881
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.065
local terms energy: -60.992263
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -157.326747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.326747 (E_RNA)
where:
Base-Base interactions energy: -90.788
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.164
local terms energy: -66.375058
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -157.419278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.419278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.419278 (E_RNA)
where:
Base-Base interactions energy: -103.345
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.114
local terms energy: -53.960837
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -115.792033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.792033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.792033 (E_RNA)
where:
Base-Base interactions energy: -68.055
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.123
local terms energy: -47.613853
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -87.429160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.429160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.429160 (E_RNA)
where:
Base-Base interactions energy: -33.082
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.040
local terms energy: -54.307718
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -89.629379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629379 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: 0.991
local terms energy: -56.350586
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.911
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -83.694005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.694005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.694005 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.135
local terms energy: -46.858305
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -9.175
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: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -219.586127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.586127 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.071
local terms energy: -68.118484
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.801
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: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -213.693401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.693401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.693401 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.000
local terms energy: -82.430776
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -223.572380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572380 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -65.492
Base-Backbone interact. energy: 1.026
local terms energy: -80.303986
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -151.797710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.797710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.797710 (E_RNA)
where:
Base-Base interactions energy: -82.892
where: short stacking energy: -48.348
Base-Backbone interact. energy: -0.268
local terms energy: -68.637428
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -175.472169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.472169 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -45.610
Base-Backbone interact. energy: -0.006
local terms energy: -68.675782
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -184.559914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.559914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.559914 (E_RNA)
where:
Base-Base interactions energy: -119.163
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.049
local terms energy: -65.348294
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -122.144733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.144733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.144733 (E_RNA)
where:
Base-Base interactions energy: -67.020
where: short stacking energy: -38.408
Base-Backbone interact. energy: -0.498
local terms energy: -54.626576
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -5.570
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: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -80.120921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.120921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.120921 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.109
local terms energy: -45.325801
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -7.692
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: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -83.686673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.686673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.686673 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -34.981
Base-Backbone interact. energy: -0.037
local terms energy: -48.668030
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -10.376
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.271865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.271865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.271865 (E_RNA)
where:
Base-Base interactions energy: -24.375
where: short stacking energy: -24.375
Base-Backbone interact. energy: -0.130
local terms energy: -50.766371
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -198.897924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.897924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.897924 (E_RNA)
where:
Base-Base interactions energy: -124.694
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.022
local terms energy: -74.182089
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -209.656563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.656563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.656563 (E_RNA)
where:
Base-Base interactions energy: -138.686
where: short stacking energy: -64.423
Base-Backbone interact. energy: 0.522
local terms energy: -71.492547
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -214.564283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.564283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.564283 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.523
local terms energy: -76.312334
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.416
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: 36
Temperature: 1.050000
Total energy: -156.437001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.437001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.437001 (E_RNA)
where:
Base-Base interactions energy: -95.827
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.043
local terms energy: -60.566408
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -6.987
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -177.092892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.092892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.092892 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -54.929
Base-Backbone interact. energy: 0.923
local terms energy: -61.864903
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.567
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: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -192.874693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.874693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.874693 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.014
local terms energy: -59.762154
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -113.574159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.574159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.574159 (E_RNA)
where:
Base-Base interactions energy: -54.310
where: short stacking energy: -36.350
Base-Backbone interact. energy: -1.198
local terms energy: -58.065336
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -113.378458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.378458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.378458 (E_RNA)
where:
Base-Base interactions energy: -61.407
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.280
local terms energy: -51.691774
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -92.000405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.000405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.000405 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.179
local terms energy: -48.166030
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -6.449
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: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -80.532926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.532926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.532926 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -28.920
Base-Backbone interact. energy: -0.112
local terms energy: -51.501447
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -12.112
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: 37
Temperature: 0.900000
Total energy: -194.278486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.278486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.278486 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.196
local terms energy: -64.030736
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -219.574969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.574969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.574969 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.070
local terms energy: -76.658814
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -201.565364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.565364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.565364 (E_RNA)
where:
Base-Base interactions energy: -134.239
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.264
local terms energy: -67.062264
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -180.255922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.255922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.255922 (E_RNA)
where:
Base-Base interactions energy: -115.258
where: short stacking energy: -62.709
Base-Backbone interact. energy: 0.415
local terms energy: -65.412765
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -166.538058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.538058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.538058 (E_RNA)
where:
Base-Base interactions energy: -105.783
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.765
local terms energy: -59.989668
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -201.367359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.367359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.367359 (E_RNA)
where:
Base-Base interactions energy: -129.465
where: short stacking energy: -63.164
Base-Backbone interact. energy: 0.453
local terms energy: -72.355601
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -13.105
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: 37
Temperature: 1.200000
Total energy: -94.931272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.931272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.931272 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -25.727
Base-Backbone interact. energy: -0.636
local terms energy: -54.744290
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -128.461002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.461002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.461002 (E_RNA)
where:
Base-Base interactions energy: -80.937
where: short stacking energy: -27.648
Base-Backbone interact. energy: 0.251
local terms energy: -47.775382
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -80.224053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.224053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.224053 (E_RNA)
where:
Base-Base interactions energy: -35.740
where: short stacking energy: -17.559
Base-Backbone interact. energy: -1.087
local terms energy: -43.397069
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -75.426300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.426300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.426300 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.149
local terms energy: -46.528731
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -223.998458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.998458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.998458 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -74.624
Base-Backbone interact. energy: 0.974
local terms energy: -81.866623
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -22.205
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: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -210.498851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498851 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.426
local terms energy: -76.620731
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -197.254202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.254202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.254202 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.636
local terms energy: -68.072100
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -193.297208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.297208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297208 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.006
local terms energy: -67.769649
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -211.312625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.312625 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -64.828
Base-Backbone interact. energy: 0.292
local terms energy: -68.022690
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -147.503096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.503096 (E_RNA)
where:
Base-Base interactions energy: -87.142
where: short stacking energy: -48.422
Base-Backbone interact. energy: -0.166
local terms energy: -60.195088
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -6.916
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: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -134.577577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.577577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.577577 (E_RNA)
where:
Base-Base interactions energy: -80.044
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.136
local terms energy: -54.398124
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -3.444
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -95.138693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.138693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.138693 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.716
local terms energy: -51.396939
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -6.862
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: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -81.551437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.551437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.551437 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.087
local terms energy: -46.817865
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -76.280791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.280791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.280791 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -13.114
Base-Backbone interact. energy: -1.180
local terms energy: -47.444741
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -233.623146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.623146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.623146 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -76.663
Base-Backbone interact. energy: -0.001
local terms energy: -84.401414
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -21.397
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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -220.710222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710222 (E_RNA)
where:
Base-Base interactions energy: -144.479
where: short stacking energy: -64.265
Base-Backbone interact. energy: -1.110
local terms energy: -75.120998
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -19.241
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: 3, replica: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -192.988640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988640 (E_RNA)
where:
Base-Base interactions energy: -126.733
where: short stacking energy: -64.530
Base-Backbone interact. energy: 1.291
local terms energy: -67.546744
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -195.227554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.227554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.227554 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.092
local terms energy: -70.370221
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -186.315254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.315254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.315254 (E_RNA)
where:
Base-Base interactions energy: -133.695
where: short stacking energy: -54.617
Base-Backbone interact. energy: -0.149
local terms energy: -52.471288
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -6.634
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -110.623148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.623148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.623148 (E_RNA)
where:
Base-Base interactions energy: -60.529
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.206
local terms energy: -50.300652
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -6.591
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: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -133.888533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.888533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.888533 (E_RNA)
where:
Base-Base interactions energy: -80.079
where: short stacking energy: -40.576
Base-Backbone interact. energy: -0.229
local terms energy: -53.580715
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -96.091140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.091140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.091140 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.048
local terms energy: -55.965273
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -4.791
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: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -74.411596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411596 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -25.168
Base-Backbone interact. energy: -0.259
local terms energy: -41.918992
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -7.518
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -73.936439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.936439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.936439 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -24.340
Base-Backbone interact. energy: -0.663
local terms energy: -49.628082
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -233.859421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.859421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.859421 (E_RNA)
where:
Base-Base interactions energy: -152.346
where: short stacking energy: -77.891
Base-Backbone interact. energy: 0.377
local terms energy: -81.889953
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.849
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: 40
Temperature: 0.950000
Total energy: -213.684943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.684943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.684943 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.053
local terms energy: -73.203898
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -11.713
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -204.905986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905986 (E_RNA)
where:
Base-Base interactions energy: -136.181
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.014
local terms energy: -68.711051
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -196.171409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.171409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.171409 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.014
local terms energy: -61.071595
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -8.172
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: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -188.513012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513012 (E_RNA)
where:
Base-Base interactions energy: -123.544
where: short stacking energy: -57.282
Base-Backbone interact. energy: -0.144
local terms energy: -64.824875
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -150.002178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.002178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.002178 (E_RNA)
where:
Base-Base interactions energy: -86.835
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.101
local terms energy: -63.066052
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -124.053756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.053756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.053756 (E_RNA)
where:
Base-Base interactions energy: -70.203
where: short stacking energy: -39.688
Base-Backbone interact. energy: 0.736
local terms energy: -54.586579
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -9.535
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: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -83.910216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910216 (E_RNA)
where:
Base-Base interactions energy: -27.705
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.234
local terms energy: -55.971404
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.456
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: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -80.708548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708548 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -24.524
Base-Backbone interact. energy: 0.682
local terms energy: -56.866396
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -82.254068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.254068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.254068 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.152
local terms energy: -51.347182
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -229.445572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.445572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.445572 (E_RNA)
where:
Base-Base interactions energy: -153.003
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.005
local terms energy: -76.437058
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -23.260
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -217.064657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.064657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.064657 (E_RNA)
where:
Base-Base interactions energy: -137.140
where: short stacking energy: -76.217
Base-Backbone interact. energy: -0.001
local terms energy: -79.923693
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -22.043
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: 41
Temperature: 1.000000
Total energy: -202.398406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398406 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -64.838
Base-Backbone interact. energy: 0.284
local terms energy: -63.907483
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.922
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: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -193.490701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.490701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.490701 (E_RNA)
where:
Base-Base interactions energy: -139.372
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.355
local terms energy: -53.764031
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -6.739
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: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -198.856507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.856507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.856507 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.613
local terms energy: -72.089610
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -137.846919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.846919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.846919 (E_RNA)
where:
Base-Base interactions energy: -83.013
where: short stacking energy: -42.383
Base-Backbone interact. energy: -0.168
local terms energy: -54.665832
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.032
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: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -123.290302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.290302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.290302 (E_RNA)
where:
Base-Base interactions energy: -73.515
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.084
local terms energy: -49.690611
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -87.620420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620420 (E_RNA)
where:
Base-Base interactions energy: -37.189
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.072
local terms energy: -50.359611
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -76.874342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.874342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.874342 (E_RNA)
where:
Base-Base interactions energy: -28.210
where: short stacking energy: -22.523
Base-Backbone interact. energy: 0.042
local terms energy: -48.706362
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -73.273842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.273842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.273842 (E_RNA)
where:
Base-Base interactions energy: -31.265
where: short stacking energy: -17.854
Base-Backbone interact. energy: -0.207
local terms energy: -41.802316
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -228.665839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.665839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.665839 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.214
local terms energy: -73.893292
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -206.943378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.943378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.943378 (E_RNA)
where:
Base-Base interactions energy: -130.064
where: short stacking energy: -66.928
Base-Backbone interact. energy: -0.000
local terms energy: -76.878965
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -196.185290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.185290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.185290 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.087
local terms energy: -68.305758
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -212.307767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307767 (E_RNA)
where:
Base-Base interactions energy: -143.736
where: short stacking energy: -73.183
Base-Backbone interact. energy: -0.001
local terms energy: -68.571116
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -140.653215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.653215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.653215 (E_RNA)
where:
Base-Base interactions energy: -86.999
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.185
local terms energy: -53.469275
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -190.914731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.914731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.914731 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.002
local terms energy: -68.693256
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -88.785128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.785128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.785128 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.214
local terms energy: -53.414153
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -3.968
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: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -99.300105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.300105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.300105 (E_RNA)
where:
Base-Base interactions energy: -44.936
where: short stacking energy: -33.480
Base-Backbone interact. energy: 0.598
local terms energy: -54.961990
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.912
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: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.161880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.161880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.161880 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -26.838
Base-Backbone interact. energy: -0.090
local terms energy: -47.585748
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -73.866498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.866498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.866498 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -25.806
Base-Backbone interact. energy: 0.534
local terms energy: -43.512570
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -225.597378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.597378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.597378 (E_RNA)
where:
Base-Base interactions energy: -150.549
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.218
local terms energy: -74.829631
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -192.802188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802188 (E_RNA)
where:
Base-Base interactions energy: -128.641
where: short stacking energy: -55.179
Base-Backbone interact. energy: 0.702
local terms energy: -64.862592
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -185.214775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.214775 (E_RNA)
where:
Base-Base interactions energy: -116.728
where: short stacking energy: -53.728
Base-Backbone interact. energy: -0.003
local terms energy: -68.484143
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -212.026631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.026631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.026631 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.046
local terms energy: -79.197564
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -140.847389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.847389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.847389 (E_RNA)
where:
Base-Base interactions energy: -81.472
where: short stacking energy: -38.755
Base-Backbone interact. energy: -0.405
local terms energy: -58.970236
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -8.120
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -176.805744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.805744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.805744 (E_RNA)
where:
Base-Base interactions energy: -111.437
where: short stacking energy: -48.291
Base-Backbone interact. energy: -0.103
local terms energy: -65.265116
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -98.564220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.564220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.564220 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -31.562
Base-Backbone interact. energy: -0.122
local terms energy: -52.298568
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -0.430
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -79.818332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.818332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.818332 (E_RNA)
where:
Base-Base interactions energy: -33.330
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.776
local terms energy: -45.712088
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -114.552185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.552185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.552185 (E_RNA)
where:
Base-Base interactions energy: -62.523
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.300
local terms energy: -51.728841
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -5.774
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: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.242293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.242293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.242293 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.170
local terms energy: -43.801236
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -227.457109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.457109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.457109 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -77.517
Base-Backbone interact. energy: -0.001
local terms energy: -75.859887
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -205.144257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.144257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.144257 (E_RNA)
where:
Base-Base interactions energy: -136.478
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.031
local terms energy: -68.635190
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -14.522
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -214.671418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.671418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.671418 (E_RNA)
where:
Base-Base interactions energy: -137.879
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.014
local terms energy: -76.778628
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -21.214
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: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -193.942727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942727 (E_RNA)
where:
Base-Base interactions energy: -127.442
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.002
local terms energy: -66.498583
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -196.790699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.790699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.790699 (E_RNA)
where:
Base-Base interactions energy: -125.179
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.091
local terms energy: -71.519930
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -9.256
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: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -146.635519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.635519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.635519 (E_RNA)
where:
Base-Base interactions energy: -86.290
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.017
local terms energy: -60.328859
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -92.285638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.285638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.285638 (E_RNA)
where:
Base-Base interactions energy: -31.720
where: short stacking energy: -24.036
Base-Backbone interact. energy: -0.226
local terms energy: -60.339947
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -86.754222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754222 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.212
local terms energy: -48.255058
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -6.239
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.430006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430006 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -24.192
Base-Backbone interact. energy: 0.917
local terms energy: -54.197733
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -78.040124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.040124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.040124 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -27.355
Base-Backbone interact. energy: -0.025
local terms energy: -48.018609
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -224.639874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.639874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.639874 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.000
local terms energy: -73.078303
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -21.180
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: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -222.689820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.689820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.689820 (E_RNA)
where:
Base-Base interactions energy: -149.585
where: short stacking energy: -71.277
Base-Backbone interact. energy: -0.060
local terms energy: -73.044660
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -204.204024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.204024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.204024 (E_RNA)
where:
Base-Base interactions energy: -130.059
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.000
local terms energy: -74.144703
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -196.343350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.343350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.343350 (E_RNA)
where:
Base-Base interactions energy: -125.379
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.013
local terms energy: -70.950941
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -187.423074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423074 (E_RNA)
where:
Base-Base interactions energy: -129.580
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.006
local terms energy: -57.837115
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -9.649
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: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -114.613427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.613427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.613427 (E_RNA)
where:
Base-Base interactions energy: -65.091
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.095
local terms energy: -49.427228
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -8.910
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -10.153
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: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -134.763562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.763562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.763562 (E_RNA)
where:
Base-Base interactions energy: -78.713
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.082
local terms energy: -55.968423
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -98.440732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.440732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.440732 (E_RNA)
where:
Base-Base interactions energy: -43.560
where: short stacking energy: -25.615
Base-Backbone interact. energy: 0.245
local terms energy: -55.126199
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -75.844210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.844210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.844210 (E_RNA)
where:
Base-Base interactions energy: -25.082
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.117
local terms energy: -50.645690
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -0.796
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: 45
Temperature: 1.350000
Total energy: -110.691468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.691468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.691468 (E_RNA)
where:
Base-Base interactions energy: -62.833
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.278
local terms energy: -47.581039
where:
bonds (distance) C4'-P energy: -7.134
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -4.615
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: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -229.975875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.975875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.975875 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.044
local terms energy: -80.660229
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -227.658787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658787 (E_RNA)
where:
Base-Base interactions energy: -153.677
where: short stacking energy: -70.798
Base-Backbone interact. energy: -0.002
local terms energy: -73.979937
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -21.691
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: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -200.123792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.123792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.123792 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.131
local terms energy: -69.192615
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.790
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: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -185.035619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035619 (E_RNA)
where:
Base-Base interactions energy: -130.753
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.008
local terms energy: -54.274788
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -182.243497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.243497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.243497 (E_RNA)
where:
Base-Base interactions energy: -114.069
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.158
local terms energy: -68.016440
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -99.055090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.055090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.055090 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.055
local terms energy: -62.848588
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -11.454
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: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -126.718634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.718634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.718634 (E_RNA)
where:
Base-Base interactions energy: -66.444
where: short stacking energy: -36.743
Base-Backbone interact. energy: -1.015
local terms energy: -59.259589
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -91.121568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121568 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.105
local terms energy: -50.125798
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -111.768783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.768783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.768783 (E_RNA)
where:
Base-Base interactions energy: -63.572
where: short stacking energy: -23.801
Base-Backbone interact. energy: -1.014
local terms energy: -47.182714
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.288
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: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -84.227930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.227930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.227930 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -32.244
Base-Backbone interact. energy: -0.074
local terms energy: -48.684516
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -8.470
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: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -228.444179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.444179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.444179 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.011
local terms energy: -78.933656
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -12.689
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -203.487003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487003 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -60.493
Base-Backbone interact. energy: 0.103
local terms energy: -74.739791
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -218.764453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.764453 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.001
local terms energy: -70.749850
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -187.261618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.261618 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -51.116
Base-Backbone interact. energy: 1.481
local terms energy: -70.011046
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -186.092851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.092851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.092851 (E_RNA)
where:
Base-Base interactions energy: -114.383
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.068
local terms energy: -71.641870
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -8.970
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: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -158.945649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.945649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.945649 (E_RNA)
where:
Base-Base interactions energy: -93.464
where: short stacking energy: -43.468
Base-Backbone interact. energy: -0.026
local terms energy: -65.455310
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -110.445636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.445636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.445636 (E_RNA)
where:
Base-Base interactions energy: -62.901
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.219
local terms energy: -47.325136
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -104.265543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.265543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.265543 (E_RNA)
where:
Base-Base interactions energy: -57.078
where: short stacking energy: -20.499
Base-Backbone interact. energy: -1.306
local terms energy: -45.880782
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -73.676916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.676916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.676916 (E_RNA)
where:
Base-Base interactions energy: -21.179
where: short stacking energy: -19.057
Base-Backbone interact. energy: -0.052
local terms energy: -52.445784
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -86.397588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.397588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.397588 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.130
local terms energy: -52.998058
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -198.376515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.376515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.376515 (E_RNA)
where:
Base-Base interactions energy: -131.341
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.007
local terms energy: -67.027669
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -221.358426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.358426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.358426 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.329
local terms energy: -75.090782
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -13.065
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: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -219.849422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.849422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.849422 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.008
local terms energy: -73.537055
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -193.340587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.340587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.340587 (E_RNA)
where:
Base-Base interactions energy: -127.354
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.162
local terms energy: -65.824098
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -166.041989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.041989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.041989 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.459
local terms energy: -63.414045
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.225
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: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -183.483604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.483604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.483604 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.235
local terms energy: -61.949605
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -5.857
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: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -96.629224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.629224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.629224 (E_RNA)
where:
Base-Base interactions energy: -50.998
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.027
local terms energy: -45.604822
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -91.993783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.993783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.993783 (E_RNA)
where:
Base-Base interactions energy: -39.726
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.314
local terms energy: -51.953768
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.281
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -86.327149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327149 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.252
local terms energy: -50.279679
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -91.439447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.439447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.439447 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -37.400
Base-Backbone interact. energy: -0.189
local terms energy: -53.850260
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -209.540636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.540636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.540636 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.017
local terms energy: -57.833455
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -228.558228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.558228 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.003
local terms energy: -77.577517
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -220.499786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.499786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.499786 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -72.089
Base-Backbone interact. energy: -0.633
local terms energy: -70.511160
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -165.383796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.383796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.383796 (E_RNA)
where:
Base-Base interactions energy: -107.975
where: short stacking energy: -49.453
Base-Backbone interact. energy: -0.313
local terms energy: -57.095912
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -180.372330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.372330 (E_RNA)
where:
Base-Base interactions energy: -120.318
where: short stacking energy: -50.151
Base-Backbone interact. energy: 1.474
local terms energy: -61.529116
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -166.727943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.727943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.727943 (E_RNA)
where:
Base-Base interactions energy: -115.397
where: short stacking energy: -36.396
Base-Backbone interact. energy: -0.311
local terms energy: -51.019581
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -4.766
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: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -103.625112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.625112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.625112 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -41.438
Base-Backbone interact. energy: 0.058
local terms energy: -62.073872
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -11.332
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -91.642494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.642494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.642494 (E_RNA)
where:
Base-Base interactions energy: -41.449
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.104
local terms energy: -50.089621
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -4.041
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: 49
Temperature: 1.300000
Total energy: -71.312013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.312013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.312013 (E_RNA)
where:
Base-Base interactions energy: -29.353
where: short stacking energy: -29.031
Base-Backbone interact. energy: -0.242
local terms energy: -41.717650
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: 3.893
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: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -78.902109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.902109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.902109 (E_RNA)
where:
Base-Base interactions energy: -28.433
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.093
local terms energy: -50.376525
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -235.569036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.569036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.569036 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.627
local terms energy: -80.404898
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -192.997391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.997391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.997391 (E_RNA)
where:
Base-Base interactions energy: -128.875
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.049
local terms energy: -64.074164
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -3.263
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: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -226.547252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.547252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.547252 (E_RNA)
where:
Base-Base interactions energy: -152.597
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.005
local terms energy: -73.945117
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -161.665698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.665698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.665698 (E_RNA)
where:
Base-Base interactions energy: -97.628
where: short stacking energy: -60.148
Base-Backbone interact. energy: 0.534
local terms energy: -64.572138
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -10.700
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: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -194.223791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.223791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.223791 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -55.580
Base-Backbone interact. energy: 0.340
local terms energy: -64.227976
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -176.391668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.391668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.391668 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -60.657
Base-Backbone interact. energy: 2.155
local terms energy: -61.602597
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -8.438
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -92.016134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016134 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -42.827
Base-Backbone interact. energy: -0.557
local terms energy: -48.845037
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -4.457
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -86.814001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814001 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.451
local terms energy: -52.694024
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -91.216134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.216134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.216134 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -38.768
Base-Backbone interact. energy: 0.351
local terms energy: -52.443577
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -76.415596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.415596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.415596 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -28.092
Base-Backbone interact. energy: -0.386
local terms energy: -46.382390
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -227.691814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.691814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.691814 (E_RNA)
where:
Base-Base interactions energy: -149.062
where: short stacking energy: -71.121
Base-Backbone interact. energy: -0.251
local terms energy: -78.378642
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -223.077089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.077089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.077089 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.037
local terms energy: -78.920593
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -18.621
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -195.184315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184315 (E_RNA)
where:
Base-Base interactions energy: -124.350
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.646
local terms energy: -70.187823
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -16.214
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: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -184.104210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.104210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.104210 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -54.572
Base-Backbone interact. energy: 1.554
local terms energy: -57.823334
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -159.238782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.238782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.238782 (E_RNA)
where:
Base-Base interactions energy: -101.168
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.119
local terms energy: -57.951513
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -9.410
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: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -174.049070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.049070 (E_RNA)
where:
Base-Base interactions energy: -110.584
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.074
local terms energy: -63.391290
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -100.886310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.886310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.886310 (E_RNA)
where:
Base-Base interactions energy: -45.004
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.587
local terms energy: -55.295062
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -99.317909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.317909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.317909 (E_RNA)
where:
Base-Base interactions energy: -43.153
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.642
local terms energy: -55.523164
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -5.970
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: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -82.854131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854131 (E_RNA)
where:
Base-Base interactions energy: -32.145
where: short stacking energy: -24.167
Base-Backbone interact. energy: -0.046
local terms energy: -50.663327
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -90.429871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429871 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.142
local terms energy: -54.636455
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -5.908
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: 52
Temperature: 0.900000
Total energy: -230.966836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.966836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.966836 (E_RNA)
where:
Base-Base interactions energy: -150.849
where: short stacking energy: -68.569
Base-Backbone interact. energy: 0.370
local terms energy: -80.488463
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.567
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: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -232.354861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.354861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.354861 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.103
local terms energy: -82.971166
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -184.627526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.627526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627526 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.006
local terms energy: -65.840806
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -9.835
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: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -194.040780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.040780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.040780 (E_RNA)
where:
Base-Base interactions energy: -121.564
where: short stacking energy: -54.863
Base-Backbone interact. energy: 0.222
local terms energy: -72.698681
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -8.136
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: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -188.216245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.216245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.216245 (E_RNA)
where:
Base-Base interactions energy: -125.130
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.118
local terms energy: -62.967941
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -175.975587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.975587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.975587 (E_RNA)
where:
Base-Base interactions energy: -114.489
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.082
local terms energy: -61.405018
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -86.624124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.624124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.624124 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.049
local terms energy: -51.943464
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -7.275
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: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -81.650296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.650296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.650296 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.254
local terms energy: -45.803862
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -78.279129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.279129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.279129 (E_RNA)
where:
Base-Base interactions energy: -34.137
where: short stacking energy: -16.226
Base-Backbone interact. energy: 1.402
local terms energy: -45.543849
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -82.897536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897536 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.155
local terms energy: -53.756089
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -227.500433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.500433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.500433 (E_RNA)
where:
Base-Base interactions energy: -147.559
where: short stacking energy: -74.837
Base-Backbone interact. energy: -0.000
local terms energy: -79.940985
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -226.692817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.692817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692817 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.017
local terms energy: -81.343620
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -23.990
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: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -185.933879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.933879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.933879 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.063
local terms energy: -63.312523
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -184.875230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875230 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -65.548
Base-Backbone interact. energy: 0.144
local terms energy: -63.705266
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -184.000781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.000781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.000781 (E_RNA)
where:
Base-Base interactions energy: -120.535
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.338
local terms energy: -63.128434
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -6.652
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: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -186.081473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.081473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.081473 (E_RNA)
where:
Base-Base interactions energy: -121.182
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.161
local terms energy: -64.738344
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -85.826665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.826665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.826665 (E_RNA)
where:
Base-Base interactions energy: -27.384
where: short stacking energy: -27.384
Base-Backbone interact. energy: -0.224
local terms energy: -58.217972
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.705
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: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -86.004567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.004567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.004567 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.312
local terms energy: -51.598546
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -86.456662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.456662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.456662 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.146
local terms energy: -51.032928
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -78.306595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.306595 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -15.231
Base-Backbone interact. energy: -0.154
local terms energy: -45.489289
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: 4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -234.193968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.193968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.193968 (E_RNA)
where:
Base-Base interactions energy: -158.980
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.001
local terms energy: -75.212073
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -22.297
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: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -227.311803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311803 (E_RNA)
where:
Base-Base interactions energy: -158.793
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.001
local terms energy: -68.517679
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -191.296790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.296790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.296790 (E_RNA)
where:
Base-Base interactions energy: -123.539
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.145
local terms energy: -67.612414
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -12.937
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: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -185.935404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935404 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -54.552
Base-Backbone interact. energy: -0.033
local terms energy: -61.917737
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -8.700
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: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -189.530319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.530319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.530319 (E_RNA)
where:
Base-Base interactions energy: -117.569
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.002
local terms energy: -71.959425
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -10.796
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: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -171.967388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.967388 (E_RNA)
where:
Base-Base interactions energy: -107.598
where: short stacking energy: -49.056
Base-Backbone interact. energy: -0.280
local terms energy: -64.089220
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -87.540593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.540593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.540593 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.149
local terms energy: -53.014813
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -6.132
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: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -84.070886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.070886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.070886 (E_RNA)
where:
Base-Base interactions energy: -27.808
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.193
local terms energy: -56.069266
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -6.477
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: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -83.509179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509179 (E_RNA)
where:
Base-Base interactions energy: -27.018
where: short stacking energy: -23.828
Base-Backbone interact. energy: -0.289
local terms energy: -56.201700
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -73.463212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.463212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.463212 (E_RNA)
where:
Base-Base interactions energy: -22.083
where: short stacking energy: -20.854
Base-Backbone interact. energy: -0.200
local terms energy: -51.179741
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.477
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: 55
Temperature: 0.900000
Total energy: -228.107058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.107058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.107058 (E_RNA)
where:
Base-Base interactions energy: -149.736
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.077
local terms energy: -78.293638
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -19.798
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -223.636758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.636758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.636758 (E_RNA)
where:
Base-Base interactions energy: -151.080
where: short stacking energy: -75.289
Base-Backbone interact. energy: -0.218
local terms energy: -72.339145
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -186.891238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.891238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.891238 (E_RNA)
where:
Base-Base interactions energy: -128.463
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.274
local terms energy: -58.154492
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -4.557
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -211.182160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182160 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.246
local terms energy: -69.049655
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -195.445239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.445239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.445239 (E_RNA)
where:
Base-Base interactions energy: -124.305
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.322
local terms energy: -70.818396
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -170.306848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.306848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.306848 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.267
local terms energy: -53.790947
where:
bonds (distance) C4'-P energy: -1.228
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -122.569851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.569851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.569851 (E_RNA)
where:
Base-Base interactions energy: -62.938
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.160
local terms energy: -59.471742
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -82.954311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.954311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.954311 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.045
local terms energy: -51.755885
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -77.805487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805487 (E_RNA)
where:
Base-Base interactions energy: -39.231
where: short stacking energy: -19.052
Base-Backbone interact. energy: -0.204
local terms energy: -38.370195
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: 1.925
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -85.531136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.531136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.531136 (E_RNA)
where:
Base-Base interactions energy: -38.013
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.071
local terms energy: -47.447324
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -229.410533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.410533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.410533 (E_RNA)
where:
Base-Base interactions energy: -152.397
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.074
local terms energy: -76.939028
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -232.937452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.937452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937452 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -79.403
Base-Backbone interact. energy: -0.760
local terms energy: -82.002919
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -210.967485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.967485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.967485 (E_RNA)
where:
Base-Base interactions energy: -144.654
where: short stacking energy: -60.401
Base-Backbone interact. energy: 0.896
local terms energy: -67.209490
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.241
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -190.392015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.392015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.392015 (E_RNA)
where:
Base-Base interactions energy: -135.870
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.677
local terms energy: -53.844702
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -5.024
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: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -150.813892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.813892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.813892 (E_RNA)
where:
Base-Base interactions energy: -95.774
where: short stacking energy: -43.437
Base-Backbone interact. energy: -0.103
local terms energy: -54.937212
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -175.245373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.245373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.245373 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -48.387
Base-Backbone interact. energy: -0.096
local terms energy: -66.645416
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -138.819746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.819746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.819746 (E_RNA)
where:
Base-Base interactions energy: -89.908
where: short stacking energy: -35.650
Base-Backbone interact. energy: -1.314
local terms energy: -47.597233
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -91.041841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.041841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.041841 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.021
local terms energy: -48.717014
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -92.295441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.295441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.295441 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.186
local terms energy: -55.626093
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -6.185
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: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -75.457148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.457148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.457148 (E_RNA)
where:
Base-Base interactions energy: -24.471
where: short stacking energy: -16.411
Base-Backbone interact. energy: -0.115
local terms energy: -50.871250
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -226.657753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.657753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.657753 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.000
local terms energy: -80.013679
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -229.232076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.232076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.232076 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.001
local terms energy: -80.182666
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -20.366
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -200.991387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.991387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.991387 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -69.577
Base-Backbone interact. energy: -0.015
local terms energy: -68.421733
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -189.162411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.162411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162411 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.004
local terms energy: -71.259224
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -172.023454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.023454 (E_RNA)
where:
Base-Base interactions energy: -112.463
where: short stacking energy: -46.160
Base-Backbone interact. energy: -0.081
local terms energy: -59.478934
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -177.800170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.800170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.800170 (E_RNA)
where:
Base-Base interactions energy: -117.740
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.249
local terms energy: -59.811200
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -115.852680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.852680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.852680 (E_RNA)
where:
Base-Base interactions energy: -60.695
where: short stacking energy: -27.631
Base-Backbone interact. energy: 0.035
local terms energy: -55.192208
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -83.622617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622617 (E_RNA)
where:
Base-Base interactions energy: -36.992
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.165
local terms energy: -46.465483
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -78.358987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358987 (E_RNA)
where:
Base-Base interactions energy: -35.711
where: short stacking energy: -20.269
Base-Backbone interact. energy: -0.343
local terms energy: -42.304597
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -77.617864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.617864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.617864 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.360
local terms energy: -38.931166
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -6.326
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -4.241
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -229.247788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.247788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.247788 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.001
local terms energy: -82.946611
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -23.508
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: 58
Temperature: 0.950000
Total energy: -228.346938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.346938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.346938 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.048
local terms energy: -72.836073
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -19.541
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -194.163492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.163492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.163492 (E_RNA)
where:
Base-Base interactions energy: -121.013
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.020
local terms energy: -73.130325
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -187.727082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.727082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727082 (E_RNA)
where:
Base-Base interactions energy: -120.303
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.002
local terms energy: -67.422796
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -16.515
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: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -179.981467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.981467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.981467 (E_RNA)
where:
Base-Base interactions energy: -123.217
where: short stacking energy: -55.205
Base-Backbone interact. energy: -0.066
local terms energy: -56.698525
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -177.873651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.873651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.873651 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -48.721
Base-Backbone interact. energy: 1.855
local terms energy: -50.019843
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -88.199816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199816 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.476
local terms energy: -55.860671
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -135.060724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.060724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.060724 (E_RNA)
where:
Base-Base interactions energy: -75.690
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.126
local terms energy: -59.244955
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.103
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.829069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.829069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.829069 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -24.874
Base-Backbone interact. energy: -0.057
local terms energy: -49.338112
where:
bonds (distance) C4'-P energy: -7.508
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -78.872587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.872587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.872587 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -28.505
Base-Backbone interact. energy: -0.037
local terms energy: -50.330461
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -10.592
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: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -231.750688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.750688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.750688 (E_RNA)
where:
Base-Base interactions energy: -154.597
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.158
local terms energy: -76.995609
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -224.175833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175833 (E_RNA)
where:
Base-Base interactions energy: -143.233
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.244
local terms energy: -80.698553
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -197.639638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.639638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.639638 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.028
local terms energy: -77.300640
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -181.202360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.202360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.202360 (E_RNA)
where:
Base-Base interactions energy: -117.630
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.085
local terms energy: -63.487133
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.372
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: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -187.155824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.155824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.155824 (E_RNA)
where:
Base-Base interactions energy: -124.316
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.174
local terms energy: -62.665476
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -15.463
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: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -170.484921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484921 (E_RNA)
where:
Base-Base interactions energy: -106.655
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.080
local terms energy: -63.750242
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.647
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: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -88.585688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.585688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.585688 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -27.545
Base-Backbone interact. energy: 0.352
local terms energy: -61.392637
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -5.089
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -88.032178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.032178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.032178 (E_RNA)
where:
Base-Base interactions energy: -38.265
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.214
local terms energy: -49.553753
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -133.474675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.474675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.474675 (E_RNA)
where:
Base-Base interactions energy: -81.586
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.852
local terms energy: -51.036612
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -87.707333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707333 (E_RNA)
where:
Base-Base interactions energy: -43.180
where: short stacking energy: -21.301
Base-Backbone interact. energy: -0.318
local terms energy: -44.209403
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -224.218497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.218497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.218497 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -71.430
Base-Backbone interact. energy: -0.020
local terms energy: -76.183311
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -219.389175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.389175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.389175 (E_RNA)
where:
Base-Base interactions energy: -141.666
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.081
local terms energy: -77.642495
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -200.885173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.885173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.885173 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.133
local terms energy: -72.388493
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -15.188
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: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -190.984735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.984735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.984735 (E_RNA)
where:
Base-Base interactions energy: -117.066
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.006
local terms energy: -73.912178
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -202.039229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.039229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039229 (E_RNA)
where:
Base-Base interactions energy: -133.854
where: short stacking energy: -61.774
Base-Backbone interact. energy: -0.416
local terms energy: -67.768545
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.306
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -180.870289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.870289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.870289 (E_RNA)
where:
Base-Base interactions energy: -112.366
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.113
local terms energy: -68.391096
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -105.104618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.104618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.104618 (E_RNA)
where:
Base-Base interactions energy: -48.380
where: short stacking energy: -46.429
Base-Backbone interact. energy: 0.417
local terms energy: -57.141090
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -12.286
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -101.779382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.779382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.779382 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.223
local terms energy: -63.638959
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.020
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: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -84.365878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.365878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.365878 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -19.776
Base-Backbone interact. energy: -0.257
local terms energy: -56.609622
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -1.746
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: 60
Temperature: 1.350000
Total energy: -85.977814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.977814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.977814 (E_RNA)
where:
Base-Base interactions energy: -42.528
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.129
local terms energy: -43.320503
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -222.892902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892902 (E_RNA)
where:
Base-Base interactions energy: -148.720
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.002
local terms energy: -74.171269
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -21.642
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: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -219.206651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.206651 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.369
local terms energy: -73.435164
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -181.905538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.905538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.905538 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.118
local terms energy: -59.567477
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -12.959
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: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -211.319929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.319929 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.002
local terms energy: -74.975684
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -19.080
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: 61
Temperature: 1.100000
Total energy: -177.074444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.074444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.074444 (E_RNA)
where:
Base-Base interactions energy: -113.435
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.004
local terms energy: -63.636028
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -182.710537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.710537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.710537 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.061
local terms energy: -65.351611
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.949
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: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -121.968488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.968488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.968488 (E_RNA)
where:
Base-Base interactions energy: -67.402
where: short stacking energy: -35.642
Base-Backbone interact. energy: -0.807
local terms energy: -53.758945
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -11.190
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.095750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.095750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.095750 (E_RNA)
where:
Base-Base interactions energy: -40.245
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.157
local terms energy: -53.693401
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -82.404162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.404162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.404162 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -32.520
Base-Backbone interact. energy: -0.123
local terms energy: -48.397322
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -5.943
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: 61
Temperature: 1.350000
Total energy: -73.936267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.936267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.936267 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.372
local terms energy: -43.167839
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.735
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: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -229.274715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.274715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.274715 (E_RNA)
where:
Base-Base interactions energy: -157.032
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.046
local terms energy: -72.196530
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -19.525
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -224.399423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399423 (E_RNA)
where:
Base-Base interactions energy: -145.934
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.786
local terms energy: -77.679355
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -205.405344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.405344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.405344 (E_RNA)
where:
Base-Base interactions energy: -132.264
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.012
local terms energy: -73.129421
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.675
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -186.358477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.358477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.358477 (E_RNA)
where:
Base-Base interactions energy: -119.716
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.009
local terms energy: -66.633695
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.786
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: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -198.099107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.099107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.099107 (E_RNA)
where:
Base-Base interactions energy: -130.192
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.136
local terms energy: -67.770298
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -181.295708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295708 (E_RNA)
where:
Base-Base interactions energy: -124.340
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.006
local terms energy: -56.950053
where:
bonds (distance) C4'-P energy: -4.469
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -87.944315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944315 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.221
local terms energy: -48.644342
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -87.530455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530455 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -37.466
Base-Backbone interact. energy: -0.070
local terms energy: -49.994690
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -82.247098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.247098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.247098 (E_RNA)
where:
Base-Base interactions energy: -38.625
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.517
local terms energy: -43.104994
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -83.680319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.680319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.680319 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.105
local terms energy: -49.517161
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -3.175
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: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -223.598840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598840 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.001
local terms energy: -81.410192
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -23.255
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: 63
Temperature: 0.950000
Total energy: -226.044583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.044583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.044583 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -72.456
Base-Backbone interact. energy: -0.271
local terms energy: -79.373805
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -205.666412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.666412 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.770
local terms energy: -73.495803
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -186.104851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.104851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.104851 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.225
local terms energy: -61.151680
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -4.579
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: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -173.505599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.505599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.505599 (E_RNA)
where:
Base-Base interactions energy: -111.182
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.005
local terms energy: -62.319049
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -182.002233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.002233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.002233 (E_RNA)
where:
Base-Base interactions energy: -121.064
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.030
local terms energy: -60.908594
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -13.273
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -102.153733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.153733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.153733 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -32.744
Base-Backbone interact. energy: -0.149
local terms energy: -61.034285
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -99.867916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.867916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.867916 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.109
local terms energy: -53.218575
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -75.207157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.207157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.207157 (E_RNA)
where:
Base-Base interactions energy: -37.845
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.207
local terms energy: -37.155309
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: 1.046
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: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -76.834807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.834807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.834807 (E_RNA)
where:
Base-Base interactions energy: -25.549
where: short stacking energy: -25.549
Base-Backbone interact. energy: -1.165
local terms energy: -50.121005
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -237.830260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.830260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.830260 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -76.147
Base-Backbone interact. energy: -0.022
local terms energy: -79.734409
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -225.831987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.831987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.831987 (E_RNA)
where:
Base-Base interactions energy: -150.419
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.001
local terms energy: -75.411877
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -214.753644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.753644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.753644 (E_RNA)
where:
Base-Base interactions energy: -135.612
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.043
local terms energy: -79.099428
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -185.204743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.204743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.204743 (E_RNA)
where:
Base-Base interactions energy: -114.155
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.042
local terms energy: -71.007843
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -184.157262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.157262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.157262 (E_RNA)
where:
Base-Base interactions energy: -122.393
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.005
local terms energy: -61.759885
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -172.001459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.001459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.001459 (E_RNA)
where:
Base-Base interactions energy: -106.491
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.726
local terms energy: -64.784418
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -13.321
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: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -91.566820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566820 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.483
local terms energy: -55.884332
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -87.591480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591480 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -34.453
Base-Backbone interact. energy: 0.396
local terms energy: -48.908534
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -4.623
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: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -78.150893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.150893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.150893 (E_RNA)
where:
Base-Base interactions energy: -22.986
where: short stacking energy: -22.986
Base-Backbone interact. energy: -0.271
local terms energy: -54.893958
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -84.964251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.964251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.964251 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.139
local terms energy: -47.559097
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -7.425
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: 65
Temperature: 0.900000
Total energy: -237.168243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.168243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.168243 (E_RNA)
where:
Base-Base interactions energy: -151.775
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.004
local terms energy: -85.389285
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -218.097852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097852 (E_RNA)
where:
Base-Base interactions energy: -144.624
where: short stacking energy: -78.223
Base-Backbone interact. energy: -0.067
local terms energy: -73.407278
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -219.883983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.883983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.883983 (E_RNA)
where:
Base-Base interactions energy: -144.843
where: short stacking energy: -71.583
Base-Backbone interact. energy: -0.001
local terms energy: -75.040202
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -21.243
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -190.573923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.573923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.573923 (E_RNA)
where:
Base-Base interactions energy: -127.116
where: short stacking energy: -52.677
Base-Backbone interact. energy: 0.212
local terms energy: -63.670236
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -12.021
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -178.985407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.985407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.985407 (E_RNA)
where:
Base-Base interactions energy: -112.524
where: short stacking energy: -50.511
Base-Backbone interact. energy: -0.277
local terms energy: -66.183717
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -179.399834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.399834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.399834 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -48.679
Base-Backbone interact. energy: 0.277
local terms energy: -60.461975
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -89.514134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514134 (E_RNA)
where:
Base-Base interactions energy: -40.918
where: short stacking energy: -32.608
Base-Backbone interact. energy: 0.108
local terms energy: -48.703969
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -8.902
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: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -96.827448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.827448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.827448 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -35.302
Base-Backbone interact. energy: -0.409
local terms energy: -56.007975
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.007
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: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -74.347653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.347653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.347653 (E_RNA)
where:
Base-Base interactions energy: -26.420
where: short stacking energy: -16.313
Base-Backbone interact. energy: 0.032
local terms energy: -47.959037
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -6.615
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: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -76.217043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.217043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.217043 (E_RNA)
where:
Base-Base interactions energy: -29.181
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.172
local terms energy: -46.863472
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -228.165534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.165534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.165534 (E_RNA)
where:
Base-Base interactions energy: -149.462
where: short stacking energy: -71.412
Base-Backbone interact. energy: -0.000
local terms energy: -78.703100
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -21.760
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: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -229.200115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.200115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.200115 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.296
local terms energy: -72.422913
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -230.223983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.223983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.223983 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -76.534
Base-Backbone interact. energy: 2.107
local terms energy: -82.399489
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -197.563565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.563565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.563565 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -65.953
Base-Backbone interact. energy: 2.856
local terms energy: -73.549809
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -176.267916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.267916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.267916 (E_RNA)
where:
Base-Base interactions energy: -116.320
where: short stacking energy: -55.566
Base-Backbone interact. energy: -0.057
local terms energy: -59.891690
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -12.161
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: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -178.470836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.470836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.470836 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.002
local terms energy: -59.104878
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -101.373850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.373850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.373850 (E_RNA)
where:
Base-Base interactions energy: -52.536
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.286
local terms energy: -48.552600
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -96.747678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.747678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.747678 (E_RNA)
where:
Base-Base interactions energy: -46.471
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.163
local terms energy: -50.112921
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.039841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039841 (E_RNA)
where:
Base-Base interactions energy: -42.548
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.150
local terms energy: -40.341291
where:
bonds (distance) C4'-P energy: -5.139
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -6.883
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: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -82.048502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.048502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.048502 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -21.053
Base-Backbone interact. energy: -0.610
local terms energy: -50.089343
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -232.468843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.468843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.468843 (E_RNA)
where:
Base-Base interactions energy: -152.262
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.003
local terms energy: -80.203912
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -22.645
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -231.277409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.277409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.277409 (E_RNA)
where:
Base-Base interactions energy: -150.978
where: short stacking energy: -75.422
Base-Backbone interact. energy: -0.005
local terms energy: -80.294539
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -223.604504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604504 (E_RNA)
where:
Base-Base interactions energy: -148.095
where: short stacking energy: -73.714
Base-Backbone interact. energy: -0.018
local terms energy: -75.492155
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -191.020557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.020557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.020557 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.250
local terms energy: -61.409697
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -12.959
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: 67
Temperature: 1.100000
Total energy: -176.908284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.908284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.908284 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.019
local terms energy: -59.166261
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -179.856613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.856613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.856613 (E_RNA)
where:
Base-Base interactions energy: -115.696
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.692
local terms energy: -63.468403
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -11.676
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -103.147051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.147051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.147051 (E_RNA)
where:
Base-Base interactions energy: -52.735
where: short stacking energy: -27.247
Base-Backbone interact. energy: 0.605
local terms energy: -51.017857
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -2.025
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -82.450423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450423 (E_RNA)
where:
Base-Base interactions energy: -32.378
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.024
local terms energy: -50.048771
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -90.734404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.734404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.734404 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -27.568
Base-Backbone interact. energy: 0.244
local terms energy: -51.781180
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.966865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.966865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.966865 (E_RNA)
where:
Base-Base interactions energy: -29.924
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.072
local terms energy: -48.970661
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -228.501702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.501702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.501702 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.587
local terms energy: -83.396938
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -22.009
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: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -222.592741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.592741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.592741 (E_RNA)
where:
Base-Base interactions energy: -140.674
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.290
local terms energy: -81.628409
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.259
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: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -221.673466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.673466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.673466 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.682
local terms energy: -76.869695
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -197.528527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.528527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.528527 (E_RNA)
where:
Base-Base interactions energy: -139.234
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.141
local terms energy: -58.153708
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -190.356063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.356063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.356063 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.002
local terms energy: -64.318717
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -178.756265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.756265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.756265 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.002
local terms energy: -62.485329
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.088
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: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -98.443392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.443392 (E_RNA)
where:
Base-Base interactions energy: -54.360
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.030
local terms energy: -44.053249
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -82.824963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824963 (E_RNA)
where:
Base-Base interactions energy: -26.931
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.101
local terms energy: -55.793409
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -91.345684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.345684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.345684 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -32.219
Base-Backbone interact. energy: -0.181
local terms energy: -47.663657
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -4.526
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: 68
Temperature: 1.350000
Total energy: -75.880002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.880002 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -27.292
Base-Backbone interact. energy: 0.506
local terms energy: -48.343360
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -230.470455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.470455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.470455 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -78.702
Base-Backbone interact. energy: -0.124
local terms energy: -79.548380
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -220.324008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.324008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.324008 (E_RNA)
where:
Base-Base interactions energy: -142.497
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.026
local terms energy: -77.801833
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -217.358228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.358228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.358228 (E_RNA)
where:
Base-Base interactions energy: -151.064
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.300
local terms energy: -65.993949
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -14.287
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -188.497260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.497260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.497260 (E_RNA)
where:
Base-Base interactions energy: -121.567
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.781
local terms energy: -66.149226
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -188.008355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.008355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.008355 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.009
local terms energy: -63.645846
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -107.244449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.244449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.244449 (E_RNA)
where:
Base-Base interactions energy: -43.412
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.360
local terms energy: -63.472571
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -178.447925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.447925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.447925 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.020
local terms energy: -64.839300
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.800
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: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -85.072304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.072304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.072304 (E_RNA)
where:
Base-Base interactions energy: -35.964
where: short stacking energy: -19.498
Base-Backbone interact. energy: -0.491
local terms energy: -48.616848
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -1.720
tors. eta vs tors. theta energy: 1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -89.852204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.852204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.852204 (E_RNA)
where:
Base-Base interactions energy: -46.173
where: short stacking energy: -17.889
Base-Backbone interact. energy: -0.505
local terms energy: -43.174376
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: 3.774
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: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -73.448756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.448756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.448756 (E_RNA)
where:
Base-Base interactions energy: -29.911
where: short stacking energy: -28.660
Base-Backbone interact. energy: -0.014
local terms energy: -43.523217
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -226.963971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.963971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963971 (E_RNA)
where:
Base-Base interactions energy: -152.387
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.007
local terms energy: -74.569633
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -226.166291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.166291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.166291 (E_RNA)
where:
Base-Base interactions energy: -151.297
where: short stacking energy: -76.582
Base-Backbone interact. energy: -0.006
local terms energy: -74.863909
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -211.362818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.362818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.362818 (E_RNA)
where:
Base-Base interactions energy: -144.860
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.104
local terms energy: -66.398558
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -183.832895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.832895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.832895 (E_RNA)
where:
Base-Base interactions energy: -120.253
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.271
local terms energy: -63.308769
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -11.794
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: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -186.155754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.155754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.155754 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.100
local terms energy: -62.587905
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -106.204036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.204036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.204036 (E_RNA)
where:
Base-Base interactions energy: -46.799
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.101
local terms energy: -59.304427
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -174.413859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.413859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.413859 (E_RNA)
where:
Base-Base interactions energy: -120.207
where: short stacking energy: -54.579
Base-Backbone interact. energy: -0.055
local terms energy: -54.152491
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -92.170426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.170426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.170426 (E_RNA)
where:
Base-Base interactions energy: -45.633
where: short stacking energy: -32.353
Base-Backbone interact. energy: -0.291
local terms energy: -46.246291
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -89.761330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.761330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.761330 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -24.012
Base-Backbone interact. energy: 0.040
local terms energy: -50.783555
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -93.615843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.615843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.615843 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.093
local terms energy: -52.986042
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -234.900303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.900303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.900303 (E_RNA)
where:
Base-Base interactions energy: -152.390
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.000
local terms energy: -82.510144
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -226.831979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.831979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.831979 (E_RNA)
where:
Base-Base interactions energy: -150.794
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.003
local terms energy: -76.035156
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -9.284
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: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -220.327997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327997 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.014
local terms energy: -69.900529
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -19.411
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: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -193.002552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002552 (E_RNA)
where:
Base-Base interactions energy: -129.592
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.176
local terms energy: -63.234318
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -11.489
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: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -191.505606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505606 (E_RNA)
where:
Base-Base interactions energy: -124.379
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.187
local terms energy: -66.940031
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -107.537468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.537468 (E_RNA)
where:
Base-Base interactions energy: -53.003
where: short stacking energy: -53.003
Base-Backbone interact. energy: -0.028
local terms energy: -54.506727
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -9.134
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -91.202881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202881 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -33.214
Base-Backbone interact. energy: -1.048
local terms energy: -45.560140
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -96.845815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.845815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.845815 (E_RNA)
where:
Base-Base interactions energy: -55.233
where: short stacking energy: -26.827
Base-Backbone interact. energy: -0.157
local terms energy: -41.455671
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -6.796
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -106.226229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.226229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.226229 (E_RNA)
where:
Base-Base interactions energy: -60.426
where: short stacking energy: -43.030
Base-Backbone interact. energy: 0.101
local terms energy: -45.901651
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -85.895704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895704 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.123
local terms energy: -53.982442
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -230.219070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.219070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.219070 (E_RNA)
where:
Base-Base interactions energy: -144.626
where: short stacking energy: -66.595
Base-Backbone interact. energy: -0.704
local terms energy: -84.888446
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -20.895
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -223.432020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.432020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432020 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -64.938
Base-Backbone interact. energy: 0.877
local terms energy: -75.550094
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -218.246155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.246155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.246155 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -67.992
Base-Backbone interact. energy: -0.001
local terms energy: -74.280247
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -186.434416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.434416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.434416 (E_RNA)
where:
Base-Base interactions energy: -119.183
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.054
local terms energy: -67.197322
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -186.624349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.624349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.624349 (E_RNA)
where:
Base-Base interactions energy: -116.801
where: short stacking energy: -54.861
Base-Backbone interact. energy: 0.190
local terms energy: -70.013169
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -11.277
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: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -114.768564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.768564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.768564 (E_RNA)
where:
Base-Base interactions energy: -63.027
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.217
local terms energy: -51.524106
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -4.508
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: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -110.377805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.377805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.377805 (E_RNA)
where:
Base-Base interactions energy: -55.892
where: short stacking energy: -33.889
Base-Backbone interact. energy: 0.399
local terms energy: -54.884775
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.635
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -82.725149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.725149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.725149 (E_RNA)
where:
Base-Base interactions energy: -32.169
where: short stacking energy: -28.455
Base-Backbone interact. energy: -0.128
local terms energy: -50.428650
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.046
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: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -76.913197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.913197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.913197 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -18.640
Base-Backbone interact. energy: -0.317
local terms energy: -47.515498
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: 1.353
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -91.421691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421691 (E_RNA)
where:
Base-Base interactions energy: -50.666
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.048
local terms energy: -40.707633
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -8.125
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -231.396104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.396104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.396104 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.001
local terms energy: -76.023260
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -233.897590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.897590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.897590 (E_RNA)
where:
Base-Base interactions energy: -154.791
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.005
local terms energy: -79.101850
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -223.202437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.202437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.202437 (E_RNA)
where:
Base-Base interactions energy: -148.010
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.060
local terms energy: -75.133165
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -194.545366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.545366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.545366 (E_RNA)
where:
Base-Base interactions energy: -131.518
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.024
local terms energy: -63.003909
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -3.279
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -182.548822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.548822 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.112
local terms energy: -63.226060
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -156.649375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.649375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.649375 (E_RNA)
where:
Base-Base interactions energy: -93.024
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.033
local terms energy: -63.592475
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -8.135
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: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -92.490179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.490179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.490179 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.237
local terms energy: -56.882471
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -96.770870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.770870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.770870 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -28.283
Base-Backbone interact. energy: -0.246
local terms energy: -48.640717
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -93.940136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.940136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.940136 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -30.919
Base-Backbone interact. energy: -0.106
local terms energy: -52.596563
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.097769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.097769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.097769 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.032
local terms energy: -51.138294
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -8.438
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: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -225.086845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.086845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.086845 (E_RNA)
where:
Base-Base interactions energy: -146.681
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.865
local terms energy: -77.540397
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -228.055882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.055882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.055882 (E_RNA)
where:
Base-Base interactions energy: -152.434
where: short stacking energy: -75.928
Base-Backbone interact. energy: 0.497
local terms energy: -76.118909
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -223.123050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.123050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.123050 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -73.001
Base-Backbone interact. energy: -0.017
local terms energy: -79.576276
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.426
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -184.045456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.045456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045456 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.019
local terms energy: -69.572625
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -8.875
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: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -139.784265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.784265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.784265 (E_RNA)
where:
Base-Base interactions energy: -75.381
where: short stacking energy: -36.338
Base-Backbone interact. energy: -0.104
local terms energy: -64.299104
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -180.537116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.537116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.537116 (E_RNA)
where:
Base-Base interactions energy: -108.718
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.547
local terms energy: -71.272234
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -93.358635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.358635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.358635 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -24.545
Base-Backbone interact. energy: -0.851
local terms energy: -49.430124
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -7.843
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: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -87.778821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778821 (E_RNA)
where:
Base-Base interactions energy: -38.461
where: short stacking energy: -38.253
Base-Backbone interact. energy: -0.225
local terms energy: -49.093242
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -91.527061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527061 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -18.895
Base-Backbone interact. energy: -0.362
local terms energy: -56.675670
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -78.042723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.042723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.042723 (E_RNA)
where:
Base-Base interactions energy: -26.877
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.675
local terms energy: -50.490874
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -234.373623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.373623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.373623 (E_RNA)
where:
Base-Base interactions energy: -156.437
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.021
local terms energy: -77.914932
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -228.973432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.973432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.973432 (E_RNA)
where:
Base-Base interactions energy: -151.402
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.041
local terms energy: -77.530722
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -222.532850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.532850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.532850 (E_RNA)
where:
Base-Base interactions energy: -147.870
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.002
local terms energy: -74.660564
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -147.831753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.831753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.831753 (E_RNA)
where:
Base-Base interactions energy: -90.302
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.035
local terms energy: -57.495467
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -196.981135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.981135 (E_RNA)
where:
Base-Base interactions energy: -127.528
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.006
local terms energy: -69.446433
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -186.987438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987438 (E_RNA)
where:
Base-Base interactions energy: -116.120
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.001
local terms energy: -70.866041
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -96.243807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.243807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.243807 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.067
local terms energy: -59.074066
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -13.717
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: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -128.627072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.627072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.627072 (E_RNA)
where:
Base-Base interactions energy: -64.663
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.066
local terms energy: -63.898243
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.667060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.667060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.667060 (E_RNA)
where:
Base-Base interactions energy: -36.105
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.160
local terms energy: -43.402552
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -5.545
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: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.742429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.742429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.742429 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -24.623
Base-Backbone interact. energy: 0.547
local terms energy: -52.666558
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -230.223370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.223370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.223370 (E_RNA)
where:
Base-Base interactions energy: -157.112
where: short stacking energy: -71.483
Base-Backbone interact. energy: -0.006
local terms energy: -73.105476
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -228.139305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139305 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.046
local terms energy: -75.907470
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.280
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: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -214.582716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.582716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.582716 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.005
local terms energy: -77.450918
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -163.645462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.645462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.645462 (E_RNA)
where:
Base-Base interactions energy: -96.060
where: short stacking energy: -59.446
Base-Backbone interact. energy: 1.215
local terms energy: -68.800654
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -194.397259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.397259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397259 (E_RNA)
where:
Base-Base interactions energy: -116.091
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.001
local terms energy: -78.305585
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -168.904236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.904236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.904236 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -51.418
Base-Backbone interact. energy: 2.650
local terms energy: -63.676136
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -131.349974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.349974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.349974 (E_RNA)
where:
Base-Base interactions energy: -76.745
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.087
local terms energy: -54.518410
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -83.967011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.967011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.967011 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.099
local terms energy: -51.551940
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -85.101466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101466 (E_RNA)
where:
Base-Base interactions energy: -36.986
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.188
local terms energy: -47.927799
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: 0.421
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: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -89.297115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.297115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.297115 (E_RNA)
where:
Base-Base interactions energy: -45.333
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.100
local terms energy: -43.863725
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -234.912798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.912798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.912798 (E_RNA)
where:
Base-Base interactions energy: -155.648
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.000
local terms energy: -79.264458
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -226.533623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.533623 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.582
local terms energy: -73.578404
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -22.506
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: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -219.716086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.716086 (E_RNA)
where:
Base-Base interactions energy: -144.244
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.123
local terms energy: -75.348920
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -189.081067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.081067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.081067 (E_RNA)
where:
Base-Base interactions energy: -122.916
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.181
local terms energy: -65.983611
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -9.844
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: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -146.091272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.091272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.091272 (E_RNA)
where:
Base-Base interactions energy: -92.872
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.987
local terms energy: -52.232585
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -175.535394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.535394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.535394 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.254
local terms energy: -60.172650
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -134.406228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.406228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.406228 (E_RNA)
where:
Base-Base interactions energy: -79.114
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.023
local terms energy: -55.269785
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -7.434
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: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -89.489177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489177 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.069
local terms energy: -54.568989
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -80.445944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.445944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.445944 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -13.787
Base-Backbone interact. energy: 0.220
local terms energy: -44.673900
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -76.930470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.930470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.930470 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.412
local terms energy: -42.248918
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -7.505
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: 78
Temperature: 0.900000
Total energy: -231.625360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.625360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.625360 (E_RNA)
where:
Base-Base interactions energy: -153.236
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.009
local terms energy: -78.380179
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -229.017667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017667 (E_RNA)
where:
Base-Base interactions energy: -151.845
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.157
local terms energy: -77.015051
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -20.300
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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -221.829286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.829286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.829286 (E_RNA)
where:
Base-Base interactions energy: -146.970
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.011
local terms energy: -74.848504
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -186.718381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.718381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.718381 (E_RNA)
where:
Base-Base interactions energy: -121.392
where: short stacking energy: -58.814
Base-Backbone interact. energy: -0.008
local terms energy: -65.319168
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.779
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: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -200.577041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577041 (E_RNA)
where:
Base-Base interactions energy: -124.203
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.115
local terms energy: -76.258431
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -133.211378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.211378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.211378 (E_RNA)
where:
Base-Base interactions energy: -71.893
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.077
local terms energy: -61.241469
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -131.374296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.374296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.374296 (E_RNA)
where:
Base-Base interactions energy: -78.398
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.147
local terms energy: -52.829187
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -90.519142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.519142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.519142 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -30.882
Base-Backbone interact. energy: -0.037
local terms energy: -59.121300
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.346
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: 78
Temperature: 1.300000
Total energy: -83.457616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457616 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.112
local terms energy: -50.817888
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -5.526
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.902177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902177 (E_RNA)
where:
Base-Base interactions energy: -27.044
where: short stacking energy: -22.359
Base-Backbone interact. energy: -0.116
local terms energy: -55.741919
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -227.876344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.876344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.876344 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.269
local terms energy: -85.566353
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -22.679
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: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -227.155506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.155506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.155506 (E_RNA)
where:
Base-Base interactions energy: -143.045
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.002
local terms energy: -84.109021
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -13.938
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: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -221.512916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512916 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.003
local terms energy: -69.294218
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -193.699840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.699840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.699840 (E_RNA)
where:
Base-Base interactions energy: -125.986
where: short stacking energy: -65.526
Base-Backbone interact. energy: 0.383
local terms energy: -68.096768
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -190.520521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.520521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.520521 (E_RNA)
where:
Base-Base interactions energy: -121.765
where: short stacking energy: -53.114
Base-Backbone interact. energy: 0.248
local terms energy: -69.002800
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -132.617844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.617844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.617844 (E_RNA)
where:
Base-Base interactions energy: -82.147
where: short stacking energy: -43.369
Base-Backbone interact. energy: 2.091
local terms energy: -52.562359
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -132.776015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.776015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.776015 (E_RNA)
where:
Base-Base interactions energy: -85.851
where: short stacking energy: -42.529
Base-Backbone interact. energy: 1.681
local terms energy: -48.606338
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -88.219094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219094 (E_RNA)
where:
Base-Base interactions energy: -35.046
where: short stacking energy: -34.569
Base-Backbone interact. energy: -1.090
local terms energy: -52.082847
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -86.603713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603713 (E_RNA)
where:
Base-Base interactions energy: -35.942
where: short stacking energy: -35.942
Base-Backbone interact. energy: -0.118
local terms energy: -50.544011
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -85.533835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.533835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.533835 (E_RNA)
where:
Base-Base interactions energy: -43.109
where: short stacking energy: -23.211
Base-Backbone interact. energy: 0.131
local terms energy: -42.555140
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -229.429362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.429362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.429362 (E_RNA)
where:
Base-Base interactions energy: -151.439
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.043
local terms energy: -77.946840
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -229.397077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.397077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.397077 (E_RNA)
where:
Base-Base interactions energy: -154.449
where: short stacking energy: -78.725
Base-Backbone interact. energy: 2.479
local terms energy: -77.426501
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -222.144126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.144126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.144126 (E_RNA)
where:
Base-Base interactions energy: -143.509
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.000
local terms energy: -78.635052
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -189.915724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.915724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.915724 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -63.920
Base-Backbone interact. energy: 0.322
local terms energy: -57.089378
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -185.425018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.425018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.425018 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.003
local terms energy: -72.010316
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -147.012100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.012100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.012100 (E_RNA)
where:
Base-Base interactions energy: -94.868
where: short stacking energy: -44.305
Base-Backbone interact. energy: -0.313
local terms energy: -51.831103
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -8.471
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -6.396
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: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -138.101620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.101620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.101620 (E_RNA)
where:
Base-Base interactions energy: -82.982
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.212
local terms energy: -54.907092
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -86.520517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520517 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.101
local terms energy: -44.129341
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -4.181
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: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.847349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847349 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -24.182
Base-Backbone interact. energy: -0.163
local terms energy: -49.206328
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -69.592986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.592986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.592986 (E_RNA)
where:
Base-Base interactions energy: -23.629
where: short stacking energy: -23.629
Base-Backbone interact. energy: 1.802
local terms energy: -47.765994
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -230.228298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.228298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.228298 (E_RNA)
where:
Base-Base interactions energy: -152.071
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.066
local terms energy: -78.091093
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -230.921842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.921842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.921842 (E_RNA)
where:
Base-Base interactions energy: -153.366
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.047
local terms energy: -77.509082
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -220.912460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.912460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.912460 (E_RNA)
where:
Base-Base interactions energy: -143.791
where: short stacking energy: -74.046
Base-Backbone interact. energy: -0.696
local terms energy: -76.425041
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -21.653
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -195.280738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.280738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.280738 (E_RNA)
where:
Base-Base interactions energy: -127.574
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.004
local terms energy: -67.702437
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -180.071770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.071770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.071770 (E_RNA)
where:
Base-Base interactions energy: -117.077
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.113
local terms energy: -62.881914
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -7.823
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.264
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -160.447274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.447274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.447274 (E_RNA)
where:
Base-Base interactions energy: -94.469
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.141
local terms energy: -65.836779
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -7.794
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -134.200005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.200005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.200005 (E_RNA)
where:
Base-Base interactions energy: -78.961
where: short stacking energy: -43.653
Base-Backbone interact. energy: 0.169
local terms energy: -55.408505
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.024
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -84.671722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671722 (E_RNA)
where:
Base-Base interactions energy: -29.760
where: short stacking energy: -21.918
Base-Backbone interact. energy: 1.038
local terms energy: -55.949184
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.296
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: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -80.984659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.984659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.984659 (E_RNA)
where:
Base-Base interactions energy: -30.708
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.160
local terms energy: -50.117013
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -74.912398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.912398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.912398 (E_RNA)
where:
Base-Base interactions energy: -22.818
where: short stacking energy: -18.568
Base-Backbone interact. energy: -0.782
local terms energy: -51.312160
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -234.588153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.588153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.588153 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.002
local terms energy: -81.139678
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -225.134038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.134038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.134038 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.045
local terms energy: -72.103984
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -221.723740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723740 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.059
local terms energy: -72.880593
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.420
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: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -203.838314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.838314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.838314 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.363
local terms energy: -69.296708
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -15.854
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: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -160.317962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.317962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.317962 (E_RNA)
where:
Base-Base interactions energy: -98.794
where: short stacking energy: -54.983
Base-Backbone interact. energy: -0.003
local terms energy: -61.520755
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -177.415787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.415787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.415787 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.062
local terms energy: -59.239622
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -10.600
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: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -90.882249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.882249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.882249 (E_RNA)
where:
Base-Base interactions energy: -46.303
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.205
local terms energy: -44.373435
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -82.819043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819043 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.195
local terms energy: -47.945020
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -9.382
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.598
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -83.968258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.968258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.968258 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.034
local terms energy: -50.567453
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -6.260
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -84.059552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.059552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.059552 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -35.672
Base-Backbone interact. energy: -0.200
local terms energy: -44.783850
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -228.051217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.051217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.051217 (E_RNA)
where:
Base-Base interactions energy: -151.317
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.042
local terms energy: -76.691722
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -230.051950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.051950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.051950 (E_RNA)
where:
Base-Base interactions energy: -151.399
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.097
local terms energy: -78.556327
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -200.751044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751044 (E_RNA)
where:
Base-Base interactions energy: -135.672
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.070
local terms energy: -65.009905
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.500
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -197.033555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.033555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.033555 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -62.185
Base-Backbone interact. energy: -0.011
local terms energy: -73.671412
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -11.024
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: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -150.047431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.047431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.047431 (E_RNA)
where:
Base-Base interactions energy: -90.674
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.567
local terms energy: -58.806267
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -9.714
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: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -185.803520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.803520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.803520 (E_RNA)
where:
Base-Base interactions energy: -114.449
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.101
local terms energy: -71.252987
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -7.822
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: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -92.871512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.871512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.871512 (E_RNA)
where:
Base-Base interactions energy: -41.834
where: short stacking energy: -36.036
Base-Backbone interact. energy: 0.199
local terms energy: -51.236589
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -81.150459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150459 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -30.710
Base-Backbone interact. energy: 0.516
local terms energy: -41.932049
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -6.334
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -81.724589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.724589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.724589 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -32.321
Base-Backbone interact. energy: -0.167
local terms energy: -49.115906
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -4.393
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: 83
Temperature: 1.350000
Total energy: -78.241174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.241174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.241174 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -22.389
Base-Backbone interact. energy: -0.157
local terms energy: -51.307734
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -230.802637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.802637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.802637 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -68.419
Base-Backbone interact. energy: -0.042
local terms energy: -83.524704
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -23.077
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: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -224.924598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.924598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.924598 (E_RNA)
where:
Base-Base interactions energy: -150.593
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.371
local terms energy: -73.959758
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -193.890303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890303 (E_RNA)
where:
Base-Base interactions energy: -127.413
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.001
local terms energy: -66.476772
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.062
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -203.485380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.485380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.485380 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -70.438
Base-Backbone interact. energy: -0.002
local terms energy: -75.363405
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -187.099551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.099551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.099551 (E_RNA)
where:
Base-Base interactions energy: -117.974
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.008
local terms energy: -69.118163
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -19.859
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: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -152.885576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.885576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.885576 (E_RNA)
where:
Base-Base interactions energy: -81.736
where: short stacking energy: -51.685
Base-Backbone interact. energy: -0.248
local terms energy: -70.901893
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -11.534
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: 84
Temperature: 1.200000
Total energy: -82.748984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748984 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.341
local terms energy: -49.706180
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -81.250904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.250904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.250904 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.041
local terms energy: -52.369934
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -90.571154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571154 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -36.825
Base-Backbone interact. energy: -0.023
local terms energy: -49.160405
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -6.294
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: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -86.169203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.169203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.169203 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.185
local terms energy: -46.583510
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -228.588542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.588542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.588542 (E_RNA)
where:
Base-Base interactions energy: -152.485
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.434
local terms energy: -75.669491
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -205.146509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.146509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.146509 (E_RNA)
where:
Base-Base interactions energy: -133.244
where: short stacking energy: -65.426
Base-Backbone interact. energy: 0.129
local terms energy: -72.031273
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -6.955
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: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -214.442716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.442716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.442716 (E_RNA)
where:
Base-Base interactions energy: -146.829
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.604
local terms energy: -67.009021
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -6.574
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -20.684
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -183.834156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.834156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.834156 (E_RNA)
where:
Base-Base interactions energy: -121.020
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.081
local terms energy: -62.732863
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -194.564017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564017 (E_RNA)
where:
Base-Base interactions energy: -126.884
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.010
local terms energy: -67.669738
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -90.644134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644134 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.237
local terms energy: -48.218223
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -8.016
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -126.853633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.853633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.853633 (E_RNA)
where:
Base-Base interactions energy: -67.572
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.464
local terms energy: -58.817970
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -80.745776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.745776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.745776 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.147
local terms energy: -55.989850
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -83.998617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.998617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.998617 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -42.543
Base-Backbone interact. energy: -0.058
local terms energy: -41.397791
where:
bonds (distance) C4'-P energy: -0.905
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -72.049329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.049329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.049329 (E_RNA)
where:
Base-Base interactions energy: -20.892
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.083
local terms energy: -51.074466
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: 2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -231.884180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.884180 (E_RNA)
where:
Base-Base interactions energy: -154.837
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.558
local terms energy: -76.489383
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.309
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -211.951448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.951448 (E_RNA)
where:
Base-Base interactions energy: -140.128
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.009
local terms energy: -71.814526
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.793
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: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -213.829162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.829162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.829162 (E_RNA)
where:
Base-Base interactions energy: -136.556
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.043
local terms energy: -77.229337
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -180.973521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.973521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.973521 (E_RNA)
where:
Base-Base interactions energy: -116.631
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.064
local terms energy: -64.278676
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -188.316940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.316940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.316940 (E_RNA)
where:
Base-Base interactions energy: -120.236
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.117
local terms energy: -67.964064
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -96.321111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321111 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.043
local terms energy: -53.456517
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -124.421321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.421321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.421321 (E_RNA)
where:
Base-Base interactions energy: -76.348
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.649
local terms energy: -47.423652
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -6.370
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -81.176224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176224 (E_RNA)
where:
Base-Base interactions energy: -29.137
where: short stacking energy: -28.649
Base-Backbone interact. energy: 0.388
local terms energy: -52.427268
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: 3.626
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: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -80.349135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349135 (E_RNA)
where:
Base-Base interactions energy: -26.372
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.063
local terms energy: -53.913610
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -76.955436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.955436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.955436 (E_RNA)
where:
Base-Base interactions energy: -24.767
where: short stacking energy: -19.590
Base-Backbone interact. energy: -0.004
local terms energy: -52.184311
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -236.812052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.812052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.812052 (E_RNA)
where:
Base-Base interactions energy: -157.891
where: short stacking energy: -77.930
Base-Backbone interact. energy: -0.591
local terms energy: -78.329597
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -218.842644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.842644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.842644 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.052
local terms energy: -72.801726
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -196.256669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.256669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.256669 (E_RNA)
where:
Base-Base interactions energy: -127.749
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.567
local terms energy: -67.940253
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -195.348766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.348766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.348766 (E_RNA)
where:
Base-Base interactions energy: -124.759
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.688
local terms energy: -69.901815
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.360
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: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -189.991165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991165 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.099
local terms energy: -72.840244
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -149.351137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.351137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.351137 (E_RNA)
where:
Base-Base interactions energy: -88.497
where: short stacking energy: -44.083
Base-Backbone interact. energy: -1.538
local terms energy: -59.316614
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -91.311481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.311481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.311481 (E_RNA)
where:
Base-Base interactions energy: -40.327
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.913
local terms energy: -50.071940
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -75.494060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.494060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.494060 (E_RNA)
where:
Base-Base interactions energy: -25.290
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.200
local terms energy: -50.003855
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.314846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.314846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.314846 (E_RNA)
where:
Base-Base interactions energy: -23.087
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.056
local terms energy: -57.171444
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -2.318
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: 87
Temperature: 1.350000
Total energy: -86.815459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815459 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.149
local terms energy: -56.016777
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -233.930298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.930298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.930298 (E_RNA)
where:
Base-Base interactions energy: -154.054
where: short stacking energy: -75.991
Base-Backbone interact. energy: 0.842
local terms energy: -80.717900
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -20.591
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: 88
Temperature: 0.950000
Total energy: -227.144231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.144231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.144231 (E_RNA)
where:
Base-Base interactions energy: -152.559
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.798
local terms energy: -73.787037
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -206.302930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.302930 (E_RNA)
where:
Base-Base interactions energy: -133.883
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.002
local terms energy: -72.417787
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -190.663049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.663049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.663049 (E_RNA)
where:
Base-Base interactions energy: -129.053
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.233
local terms energy: -61.377425
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.467
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: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -182.287644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.287644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.287644 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.120
local terms energy: -61.373132
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -11.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -141.938261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.938261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.938261 (E_RNA)
where:
Base-Base interactions energy: -81.937
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.130
local terms energy: -59.871239
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -86.490490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490490 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.171
local terms energy: -53.327434
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -0.852
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -81.893639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893639 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -25.537
Base-Backbone interact. energy: 0.003
local terms energy: -52.825788
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -84.841855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841855 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.843
local terms energy: -50.963048
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -96.255707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.255707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.255707 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -39.157
Base-Backbone interact. energy: -0.122
local terms energy: -56.976944
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.583
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -233.924421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.924421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924421 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -80.129
Base-Backbone interact. energy: 1.988
local terms energy: -81.225018
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -21.906
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: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -222.625759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.625759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.625759 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -72.951
Base-Backbone interact. energy: -0.079
local terms energy: -71.060695
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -217.880136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880136 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -67.412
Base-Backbone interact. energy: -0.416
local terms energy: -72.324231
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -187.504248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.504248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.504248 (E_RNA)
where:
Base-Base interactions energy: -120.490
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.010
local terms energy: -67.004290
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -184.342485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.342485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.342485 (E_RNA)
where:
Base-Base interactions energy: -118.539
where: short stacking energy: -54.152
Base-Backbone interact. energy: -0.175
local terms energy: -65.628450
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -13.037
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: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -119.410251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.410251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.410251 (E_RNA)
where:
Base-Base interactions energy: -70.817
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.412
local terms energy: -48.181013
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -5.907
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -131.202870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.202870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.202870 (E_RNA)
where:
Base-Base interactions energy: -75.851
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.327
local terms energy: -55.024530
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -87.521301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521301 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -36.622
Base-Backbone interact. energy: -0.110
local terms energy: -50.645661
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -79.341073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.341073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.341073 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -24.104
Base-Backbone interact. energy: 1.910
local terms energy: -48.491824
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.373
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -79.345883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.345883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.345883 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -30.543
Base-Backbone interact. energy: 0.197
local terms energy: -48.999794
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -219.403255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.403255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.403255 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.017
local terms energy: -76.396647
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -9.003
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: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -229.802964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.802964 (E_RNA)
where:
Base-Base interactions energy: -155.822
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.374
local terms energy: -73.606796
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -6.879
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: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -212.122508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.122508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.122508 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.159
local terms energy: -68.169670
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -187.228005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.228005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.228005 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.049
local terms energy: -64.866029
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -186.315749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.315749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.315749 (E_RNA)
where:
Base-Base interactions energy: -121.583
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.069
local terms energy: -64.663551
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -15.989
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: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -174.887606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.887606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.887606 (E_RNA)
where:
Base-Base interactions energy: -110.380
where: short stacking energy: -49.690
Base-Backbone interact. energy: -0.123
local terms energy: -64.384933
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -123.532859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.532859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.532859 (E_RNA)
where:
Base-Base interactions energy: -75.950
where: short stacking energy: -42.170
Base-Backbone interact. energy: 1.637
local terms energy: -49.220005
where:
bonds (distance) C4'-P energy: -3.733
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -7.008
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -88.448180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.448180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.448180 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -32.579
Base-Backbone interact. energy: 2.783
local terms energy: -58.652476
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -11.946
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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -76.824135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824135 (E_RNA)
where:
Base-Base interactions energy: -25.127
where: short stacking energy: -20.262
Base-Backbone interact. energy: 0.911
local terms energy: -52.608395
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -83.497187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497187 (E_RNA)
where:
Base-Base interactions energy: -30.943
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.191
local terms energy: -52.363346
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -222.110586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.110586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.110586 (E_RNA)
where:
Base-Base interactions energy: -146.638
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.003
local terms energy: -75.469637
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -229.127942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127942 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.041
local terms energy: -80.515882
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -226.123369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.123369 (E_RNA)
where:
Base-Base interactions energy: -147.988
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.001
local terms energy: -78.134710
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -186.444648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.444648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.444648 (E_RNA)
where:
Base-Base interactions energy: -117.306
where: short stacking energy: -56.540
Base-Backbone interact. energy: 0.051
local terms energy: -69.189428
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -12.068
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -185.712267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.712267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.712267 (E_RNA)
where:
Base-Base interactions energy: -120.066
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.045
local terms energy: -65.601673
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -177.770774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.770774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.770774 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -49.464
Base-Backbone interact. energy: -0.292
local terms energy: -59.380522
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -9.746
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -121.478061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.478061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.478061 (E_RNA)
where:
Base-Base interactions energy: -62.465
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.144
local terms energy: -58.868801
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -88.513113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.513113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.513113 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -24.364
Base-Backbone interact. energy: -1.428
local terms energy: -52.923232
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -86.651702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.651702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.651702 (E_RNA)
where:
Base-Base interactions energy: -42.402
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.387
local terms energy: -43.863483
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -64.317515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.317515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.317515 (E_RNA)
where:
Base-Base interactions energy: -23.649
where: short stacking energy: -23.649
Base-Backbone interact. energy: 0.484
local terms energy: -41.152358
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: 4.292
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: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -229.788889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.788889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.788889 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -72.028
Base-Backbone interact. energy: -0.007
local terms energy: -80.378625
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -231.582417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.582417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.582417 (E_RNA)
where:
Base-Base interactions energy: -152.453
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.479
local terms energy: -78.651052
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -182.689935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.689935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.689935 (E_RNA)
where:
Base-Base interactions energy: -119.626
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.028
local terms energy: -63.035613
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -8.882
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: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -209.446754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446754 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.004
local terms energy: -73.833511
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -184.644731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.644731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.644731 (E_RNA)
where:
Base-Base interactions energy: -120.158
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.004
local terms energy: -64.482707
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -188.270198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.270198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.270198 (E_RNA)
where:
Base-Base interactions energy: -121.565
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.139
local terms energy: -66.566274
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -114.901044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.901044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.901044 (E_RNA)
where:
Base-Base interactions energy: -64.529
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.094
local terms energy: -50.277919
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -121.801926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.801926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.801926 (E_RNA)
where:
Base-Base interactions energy: -70.372
where: short stacking energy: -29.471
Base-Backbone interact. energy: -0.118
local terms energy: -51.311986
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -6.107
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: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -83.015297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.015297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.015297 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.170
local terms energy: -55.567246
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -72.500854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.500854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.500854 (E_RNA)
where:
Base-Base interactions energy: -24.877
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.270
local terms energy: -47.354428
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: 4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -224.472554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.472554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.472554 (E_RNA)
where:
Base-Base interactions energy: -142.780
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.723
local terms energy: -80.969742
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -222.554754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.554754 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -72.886
Base-Backbone interact. energy: -0.042
local terms energy: -76.222259
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -202.816784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.816784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.816784 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.000
local terms energy: -67.305646
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -17.531
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: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -216.635933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.635933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.635933 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.070
local terms energy: -71.105173
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -182.763247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.763247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.763247 (E_RNA)
where:
Base-Base interactions energy: -114.379
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.090
local terms energy: -68.294092
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -127.878101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.878101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.878101 (E_RNA)
where:
Base-Base interactions energy: -83.316
where: short stacking energy: -47.405
Base-Backbone interact. energy: 1.000
local terms energy: -45.562315
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -7.293
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -176.771001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.771001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.771001 (E_RNA)
where:
Base-Base interactions energy: -111.264
where: short stacking energy: -51.354
Base-Backbone interact. energy: -0.494
local terms energy: -65.012531
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -113.999602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.999602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.999602 (E_RNA)
where:
Base-Base interactions energy: -59.800
where: short stacking energy: -32.901
Base-Backbone interact. energy: -0.092
local terms energy: -54.107845
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -71.343547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.343547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.343547 (E_RNA)
where:
Base-Base interactions energy: -28.775
where: short stacking energy: -21.706
Base-Backbone interact. energy: -0.394
local terms energy: -42.174909
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.526
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: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.558706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558706 (E_RNA)
where:
Base-Base interactions energy: -22.412
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.224
local terms energy: -52.923340
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -226.921310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.921310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.921310 (E_RNA)
where:
Base-Base interactions energy: -145.960
where: short stacking energy: -74.435
Base-Backbone interact. energy: -0.014
local terms energy: -80.946935
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -222.118229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.118229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.118229 (E_RNA)
where:
Base-Base interactions energy: -141.767
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.312
local terms energy: -80.038950
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -210.452287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.452287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.452287 (E_RNA)
where:
Base-Base interactions energy: -138.370
where: short stacking energy: -71.554
Base-Backbone interact. energy: -0.020
local terms energy: -72.062403
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -9.941
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -185.219405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.219405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.219405 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.046
local terms energy: -68.539791
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -14.331
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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -182.066848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.066848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.066848 (E_RNA)
where:
Base-Base interactions energy: -119.743
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.041
local terms energy: -62.282924
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -135.610157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.610157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.610157 (E_RNA)
where:
Base-Base interactions energy: -83.990
where: short stacking energy: -29.965
Base-Backbone interact. energy: 1.021
local terms energy: -52.641686
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -128.404330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.404330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.404330 (E_RNA)
where:
Base-Base interactions energy: -69.149
where: short stacking energy: -38.401
Base-Backbone interact. energy: -0.806
local terms energy: -58.449384
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -173.833789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.833789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.833789 (E_RNA)
where:
Base-Base interactions energy: -112.238
where: short stacking energy: -49.941
Base-Backbone interact. energy: 0.307
local terms energy: -61.902323
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -84.146879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.146879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.146879 (E_RNA)
where:
Base-Base interactions energy: -37.657
where: short stacking energy: -16.359
Base-Backbone interact. energy: -0.272
local terms energy: -46.217911
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -81.423302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423302 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -25.978
Base-Backbone interact. energy: -0.098
local terms energy: -49.285448
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -230.118934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.118934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.118934 (E_RNA)
where:
Base-Base interactions energy: -150.080
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.003
local terms energy: -80.036149
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -23.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -229.564386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.564386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.564386 (E_RNA)
where:
Base-Base interactions energy: -152.899
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.289
local terms energy: -76.375928
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -217.979329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979329 (E_RNA)
where:
Base-Base interactions energy: -139.970
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.614
local terms energy: -77.395336
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -188.590256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590256 (E_RNA)
where:
Base-Base interactions energy: -118.228
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.003
local terms energy: -70.359188
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -184.283362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.283362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.283362 (E_RNA)
where:
Base-Base interactions energy: -122.766
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.031
local terms energy: -61.485897
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -11.118
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -89.961935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.961935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.961935 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -34.087
Base-Backbone interact. energy: -0.069
local terms energy: -50.550406
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -5.432
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: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -135.083037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.083037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.083037 (E_RNA)
where:
Base-Base interactions energy: -77.969
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.046
local terms energy: -57.068050
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.825
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -172.204894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.204894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.204894 (E_RNA)
where:
Base-Base interactions energy: -110.038
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.036
local terms energy: -62.131120
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -98.283592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.283592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.283592 (E_RNA)
where:
Base-Base interactions energy: -56.261
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.355
local terms energy: -41.667015
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -1.203
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -82.691478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.691478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.691478 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -30.896
Base-Backbone interact. energy: -1.379
local terms energy: -50.515833
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -6.688
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: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -230.631486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.631486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.631486 (E_RNA)
where:
Base-Base interactions energy: -157.607
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.375
local terms energy: -72.649556
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -239.893002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.893002 (E_RNA)
where:
Base-Base interactions energy: -154.183
where: short stacking energy: -79.773
Base-Backbone interact. energy: -0.039
local terms energy: -85.671504
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -190.638305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.638305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.638305 (E_RNA)
where:
Base-Base interactions energy: -119.664
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.078
local terms energy: -70.896008
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -6.792
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: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -207.945757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.945757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.945757 (E_RNA)
where:
Base-Base interactions energy: -135.077
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.154
local terms energy: -72.715271
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -183.764806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.764806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.764806 (E_RNA)
where:
Base-Base interactions energy: -122.798
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.015
local terms energy: -60.951776
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.788
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -122.885412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.885412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.885412 (E_RNA)
where:
Base-Base interactions energy: -67.425
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.037
local terms energy: -55.423338
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.239
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: 96
Temperature: 1.200000
Total energy: -177.607849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.607849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.607849 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.073
local terms energy: -65.909667
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.614
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: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -132.783160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.783160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.783160 (E_RNA)
where:
Base-Base interactions energy: -84.983
where: short stacking energy: -42.532
Base-Backbone interact. energy: -1.409
local terms energy: -46.390361
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -95.611294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.611294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.611294 (E_RNA)
where:
Base-Base interactions energy: -43.565
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.387
local terms energy: -51.658682
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -4.893
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: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.594923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.594923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.594923 (E_RNA)
where:
Base-Base interactions energy: -42.234
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.041
local terms energy: -38.320125
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -231.719146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.719146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.719146 (E_RNA)
where:
Base-Base interactions energy: -146.621
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.004
local terms energy: -85.093875
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -21.352
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: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -228.691300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.691300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.691300 (E_RNA)
where:
Base-Base interactions energy: -152.867
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.729
local terms energy: -75.095121
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.696
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -195.187372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.187372 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -70.567
Base-Backbone interact. energy: 2.217
local terms energy: -65.391201
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -5.475
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: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -218.530451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.530451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.530451 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.006
local terms energy: -78.693820
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.966
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: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -171.483562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483562 (E_RNA)
where:
Base-Base interactions energy: -115.785
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.230
local terms energy: -55.467742
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.366
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: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -185.370026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.370026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.370026 (E_RNA)
where:
Base-Base interactions energy: -119.547
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.204
local terms energy: -65.619201
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -89.195598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.195598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.195598 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -19.489
Base-Backbone interact. energy: -0.286
local terms energy: -52.900113
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -114.062009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.062009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.062009 (E_RNA)
where:
Base-Base interactions energy: -65.690
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.368
local terms energy: -48.003903
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -1.047
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: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -75.769884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769884 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -27.241
Base-Backbone interact. energy: -0.326
local terms energy: -46.999427
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -6.148
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -78.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655668 (E_RNA)
where:
Base-Base interactions energy: -34.872
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.175
local terms energy: -43.609291
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -231.900195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.900195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.900195 (E_RNA)
where:
Base-Base interactions energy: -153.965
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.028
local terms energy: -77.906692
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -223.102234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.102234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.102234 (E_RNA)
where:
Base-Base interactions energy: -149.599
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.002
local terms energy: -73.501469
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.213
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -221.931131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931131 (E_RNA)
where:
Base-Base interactions energy: -153.044
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.037
local terms energy: -68.849500
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -17.885
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -197.164363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164363 (E_RNA)
where:
Base-Base interactions energy: -132.035
where: short stacking energy: -66.807
Base-Backbone interact. energy: -0.126
local terms energy: -65.003923
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -183.057581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.057581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.057581 (E_RNA)
where:
Base-Base interactions energy: -124.836
where: short stacking energy: -52.050
Base-Backbone interact. energy: -0.691
local terms energy: -57.530241
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -5.564
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: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -190.035950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.035950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.035950 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -65.623
Base-Backbone interact. energy: 1.231
local terms energy: -64.084955
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -9.131
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: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -93.932056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.932056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.932056 (E_RNA)
where:
Base-Base interactions energy: -51.690
where: short stacking energy: -27.166
Base-Backbone interact. energy: 0.849
local terms energy: -43.091215
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -5.650
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -89.117060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.117060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.117060 (E_RNA)
where:
Base-Base interactions energy: -38.656
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.080
local terms energy: -50.380977
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -77.113645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.113645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.113645 (E_RNA)
where:
Base-Base interactions energy: -23.526
where: short stacking energy: -22.783
Base-Backbone interact. energy: -0.331
local terms energy: -53.256590
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -1.833
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: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -72.344458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.344458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.344458 (E_RNA)
where:
Base-Base interactions energy: -28.758
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.140
local terms energy: -43.446920
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -233.169384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.169384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.169384 (E_RNA)
where:
Base-Base interactions energy: -151.656
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.001
local terms energy: -81.512632
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -231.411225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.411225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.411225 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -78.272
Base-Backbone interact. energy: -0.023
local terms energy: -82.775488
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -227.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.380440 (E_RNA)
where:
Base-Base interactions energy: -149.363
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.006
local terms energy: -78.011532
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -190.399476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.399476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.399476 (E_RNA)
where:
Base-Base interactions energy: -117.733
where: short stacking energy: -53.411
Base-Backbone interact. energy: -1.217
local terms energy: -71.449415
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -11.145
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: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -188.934905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934905 (E_RNA)
where:
Base-Base interactions energy: -121.983
where: short stacking energy: -68.641
Base-Backbone interact. energy: 1.417
local terms energy: -68.369302
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -203.319208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.319208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.319208 (E_RNA)
where:
Base-Base interactions energy: -141.648
where: short stacking energy: -60.145
Base-Backbone interact. energy: -1.154
local terms energy: -60.516403
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -105.185152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.185152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.185152 (E_RNA)
where:
Base-Base interactions energy: -48.897
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.152
local terms energy: -56.136338
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -6.652
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -82.724347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724347 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -27.790
Base-Backbone interact. energy: -0.382
local terms energy: -50.690885
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -1.777
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: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -89.224810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224810 (E_RNA)
where:
Base-Base interactions energy: -39.144
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.033
local terms energy: -50.048327
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -80.316873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316873 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.657
local terms energy: -48.361938
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: 3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -228.822938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.822938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.822938 (E_RNA)
where:
Base-Base interactions energy: -151.337
where: short stacking energy: -69.251
Base-Backbone interact. energy: -0.052
local terms energy: -77.434392
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -223.272252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.272252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.272252 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.440
local terms energy: -74.440909
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -215.054007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054007 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -62.566
Base-Backbone interact. energy: -0.102
local terms energy: -75.024953
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -195.565219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.565219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.565219 (E_RNA)
where:
Base-Base interactions energy: -130.142
where: short stacking energy: -51.831
Base-Backbone interact. energy: -0.080
local terms energy: -65.343277
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -194.741439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.741439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.741439 (E_RNA)
where:
Base-Base interactions energy: -128.466
where: short stacking energy: -45.205
Base-Backbone interact. energy: -0.171
local terms energy: -66.103980
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -177.548940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.548940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.548940 (E_RNA)
where:
Base-Base interactions energy: -112.522
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.179
local terms energy: -64.847777
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.609
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: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -93.024639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024639 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.106
local terms energy: -53.494138
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -80.070041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.070041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.070041 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -22.045
Base-Backbone interact. energy: -0.066
local terms energy: -43.150918
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -94.528148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.528148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.528148 (E_RNA)
where:
Base-Base interactions energy: -50.762
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.191
local terms energy: -43.575383
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -5.322
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -93.168816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.168816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.168816 (E_RNA)
where:
Base-Base interactions energy: -42.872
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.029
local terms energy: -50.266968
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -231.076319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.076319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.076319 (E_RNA)
where:
Base-Base interactions energy: -153.621
where: short stacking energy: -71.356
Base-Backbone interact. energy: 0.361
local terms energy: -77.816871
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.676
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: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -225.059550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.059550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.059550 (E_RNA)
where:
Base-Base interactions energy: -146.983
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.337
local terms energy: -77.739571
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -22.858
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -218.639889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.639889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.639889 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.066
local terms energy: -74.836359
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -19.758
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: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -198.248402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.248402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.248402 (E_RNA)
where:
Base-Base interactions energy: -126.605
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.222
local terms energy: -71.420952
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -19.958
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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -189.855343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.855343 (E_RNA)
where:
Base-Base interactions energy: -131.781
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.780
local terms energy: -57.293892
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -183.677380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.677380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.677380 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -64.523
Base-Backbone interact. energy: 1.397
local terms energy: -63.731976
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -8.284
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -132.733528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.733528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.733528 (E_RNA)
where:
Base-Base interactions energy: -72.231
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.009
local terms energy: -60.493013
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -97.208205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.208205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.208205 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.005
local terms energy: -58.051410
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -5.104
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: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -91.445051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.445051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.445051 (E_RNA)
where:
Base-Base interactions energy: -36.686
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.583
local terms energy: -54.176232
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -76.489165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.489165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.489165 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -21.216
Base-Backbone interact. energy: -0.649
local terms energy: -45.961279
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -229.466408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.466408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.466408 (E_RNA)
where:
Base-Base interactions energy: -153.791
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.282
local terms energy: -75.393739
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -230.711840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.711840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.711840 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -75.440
Base-Backbone interact. energy: -0.001
local terms energy: -77.502733
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -19.887
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -219.033478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.033478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.033478 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.234
local terms energy: -73.080706
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -21.656
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: 102
Temperature: 1.050000
Total energy: -187.537832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.537832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.537832 (E_RNA)
where:
Base-Base interactions energy: -120.353
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.140
local terms energy: -67.045471
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -187.107186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.107186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.107186 (E_RNA)
where:
Base-Base interactions energy: -122.709
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.100
local terms energy: -64.297348
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -183.755683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.755683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.755683 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -53.789
Base-Backbone interact. energy: -0.071
local terms energy: -62.892097
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -103.945245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.945245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.945245 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.058
local terms energy: -59.007701
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -86.244540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244540 (E_RNA)
where:
Base-Base interactions energy: -38.681
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.528
local terms energy: -47.035517
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -4.614
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -86.578602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.578602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.578602 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.959
local terms energy: -45.713801
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.891739 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.282
local terms energy: -45.797423
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -227.586093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.586093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.586093 (E_RNA)
where:
Base-Base interactions energy: -149.235
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.192
local terms energy: -78.159250
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -22.359
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: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -222.112025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.112025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.112025 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -69.373
Base-Backbone interact. energy: -0.104
local terms energy: -80.454910
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -23.381
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -223.114554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114554 (E_RNA)
where:
Base-Base interactions energy: -143.352
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.032
local terms energy: -79.730670
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -191.932805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.932805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.932805 (E_RNA)
where:
Base-Base interactions energy: -123.224
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.005
local terms energy: -68.703040
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -192.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.175790 (E_RNA)
where:
Base-Base interactions energy: -130.360
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.079
local terms energy: -61.736797
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -14.110
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: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -169.567585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.567585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.567585 (E_RNA)
where:
Base-Base interactions energy: -109.864
where: short stacking energy: -43.879
Base-Backbone interact. energy: -0.259
local terms energy: -59.444919
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -87.691973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691973 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -16.980
Base-Backbone interact. energy: -0.065
local terms energy: -44.808673
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -102.353369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.353369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.353369 (E_RNA)
where:
Base-Base interactions energy: -59.905
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.093
local terms energy: -42.355689
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -11.092
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: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.198984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198984 (E_RNA)
where:
Base-Base interactions energy: -38.348
where: short stacking energy: -38.348
Base-Backbone interact. energy: -0.055
local terms energy: -49.795975
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -81.426044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.426044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.426044 (E_RNA)
where:
Base-Base interactions energy: -38.602
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.156
local terms energy: -42.668122
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -226.965631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.965631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.965631 (E_RNA)
where:
Base-Base interactions energy: -145.378
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.387
local terms energy: -81.200472
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -22.276
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: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -225.851778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.851778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.851778 (E_RNA)
where:
Base-Base interactions energy: -145.128
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.088
local terms energy: -80.636433
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -22.953
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: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -214.953911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.953911 (E_RNA)
where:
Base-Base interactions energy: -138.034
where: short stacking energy: -66.102
Base-Backbone interact. energy: -0.445
local terms energy: -76.474559
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -200.566365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.566365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.566365 (E_RNA)
where:
Base-Base interactions energy: -127.104
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.021
local terms energy: -73.441806
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -178.944597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.944597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.944597 (E_RNA)
where:
Base-Base interactions energy: -112.800
where: short stacking energy: -46.375
Base-Backbone interact. energy: -0.262
local terms energy: -65.882607
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -170.297171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.297171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.297171 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -47.884
Base-Backbone interact. energy: 0.003
local terms energy: -57.302136
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -95.014556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.014556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.014556 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -35.917
Base-Backbone interact. energy: 0.684
local terms energy: -59.781133
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -7.837
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: 104
Temperature: 1.250000
Total energy: -91.569832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.569832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.569832 (E_RNA)
where:
Base-Base interactions energy: -43.581
where: short stacking energy: -42.732
Base-Backbone interact. energy: -0.041
local terms energy: -47.947825
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -99.767196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.767196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.767196 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.021
local terms energy: -59.783226
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -12.274
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -80.796650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796650 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -17.821
Base-Backbone interact. energy: 0.045
local terms energy: -43.793409
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -5.848
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: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -230.971849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.971849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.971849 (E_RNA)
where:
Base-Base interactions energy: -151.655
where: short stacking energy: -66.135
Base-Backbone interact. energy: -0.130
local terms energy: -79.186704
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -21.711
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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -217.192138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.192138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192138 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.571
local terms energy: -71.712697
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -21.048
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: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -217.381651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.381651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.381651 (E_RNA)
where:
Base-Base interactions energy: -142.849
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.080
local terms energy: -74.451982
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -201.344539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344539 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.101
local terms energy: -65.802854
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -186.557275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.557275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.557275 (E_RNA)
where:
Base-Base interactions energy: -122.290
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.008
local terms energy: -64.259048
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -186.046582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.046582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.046582 (E_RNA)
where:
Base-Base interactions energy: -120.627
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.289
local terms energy: -65.129985
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -4.288
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -92.191383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.191383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.191383 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.300
local terms energy: -49.830717
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -91.939296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939296 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.064
local terms energy: -61.019844
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -80.868157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.868157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.868157 (E_RNA)
where:
Base-Base interactions energy: -33.236
where: short stacking energy: -19.473
Base-Backbone interact. energy: -0.467
local terms energy: -47.165994
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -80.110182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110182 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -33.419
Base-Backbone interact. energy: 0.099
local terms energy: -45.546023
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -5.788
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -227.565659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.565659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.565659 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.082
local terms energy: -79.202692
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.914
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: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -220.700278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700278 (E_RNA)
where:
Base-Base interactions energy: -146.862
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.276
local terms energy: -73.562685
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -217.249194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.249194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.249194 (E_RNA)
where:
Base-Base interactions energy: -147.950
where: short stacking energy: -66.863
Base-Backbone interact. energy: -0.038
local terms energy: -69.261970
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -191.923215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.923215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.923215 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.055
local terms energy: -66.021862
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -192.667307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.667307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.667307 (E_RNA)
where:
Base-Base interactions energy: -125.471
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.015
local terms energy: -67.180986
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -174.646491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.646491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.646491 (E_RNA)
where:
Base-Base interactions energy: -109.572
where: short stacking energy: -47.700
Base-Backbone interact. energy: -0.069
local terms energy: -65.005124
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -10.793
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: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -103.916190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.916190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.916190 (E_RNA)
where:
Base-Base interactions energy: -55.150
where: short stacking energy: -28.857
Base-Backbone interact. energy: -0.226
local terms energy: -48.539386
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.783
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -82.640225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.640225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.640225 (E_RNA)
where:
Base-Base interactions energy: -47.386
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.664
local terms energy: -34.590413
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -80.224000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.224000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.224000 (E_RNA)
where:
Base-Base interactions energy: -30.374
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.788
local terms energy: -49.062128
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -76.122759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.122759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.122759 (E_RNA)
where:
Base-Base interactions energy: -24.383
where: short stacking energy: -21.703
Base-Backbone interact. energy: -0.111
local terms energy: -51.629070
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -2.150
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: 107
Temperature: 0.900000
Total energy: -229.566973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.566973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.566973 (E_RNA)
where:
Base-Base interactions energy: -152.813
where: short stacking energy: -82.873
Base-Backbone interact. energy: -0.000
local terms energy: -76.753656
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -226.565640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.565640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.565640 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.103
local terms energy: -76.400556
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -204.929841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.929841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.929841 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.908
local terms energy: -74.971899
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -190.166594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.166594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.166594 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.054
local terms energy: -65.356033
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -192.102524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.102524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.102524 (E_RNA)
where:
Base-Base interactions energy: -125.091
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.003
local terms energy: -67.009189
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -173.233457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.233457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.233457 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.045
local terms energy: -56.283848
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -9.675
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -103.080186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.080186 (E_RNA)
where:
Base-Base interactions energy: -59.961
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.209
local terms energy: -42.910517
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.950975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950975 (E_RNA)
where:
Base-Base interactions energy: -30.134
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.106
local terms energy: -54.711750
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -6.825
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: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -90.644765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644765 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -28.928
Base-Backbone interact. energy: 0.805
local terms energy: -62.521945
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -81.190190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.190190 (E_RNA)
where:
Base-Base interactions energy: -27.086
where: short stacking energy: -22.517
Base-Backbone interact. energy: -0.126
local terms energy: -53.978209
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -227.335943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335943 (E_RNA)
where:
Base-Base interactions energy: -152.022
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.033
local terms energy: -75.281852
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -228.949975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949975 (E_RNA)
where:
Base-Base interactions energy: -149.156
where: short stacking energy: -72.410
Base-Backbone interact. energy: -0.001
local terms energy: -79.793034
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.949
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -220.056730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.056730 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.143
local terms energy: -73.823062
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -191.870331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.870331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.870331 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.125
local terms energy: -73.251664
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -182.059201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059201 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.004
local terms energy: -64.697288
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -181.066993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.066993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.066993 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.128
local terms energy: -53.263451
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -80.607246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.607246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.607246 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.271
local terms energy: -49.140994
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -0.862
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: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -88.610870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610870 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.011
local terms energy: -51.379081
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -115.169312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.169312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.169312 (E_RNA)
where:
Base-Base interactions energy: -67.035
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.249
local terms energy: -47.884933
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.157065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.157065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.157065 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.150
local terms energy: -45.204426
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -1.330
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: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -227.589505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.589505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.589505 (E_RNA)
where:
Base-Base interactions energy: -149.716
where: short stacking energy: -71.748
Base-Backbone interact. energy: -0.295
local terms energy: -77.578674
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -231.818897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.818897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.818897 (E_RNA)
where:
Base-Base interactions energy: -156.062
where: short stacking energy: -77.017
Base-Backbone interact. energy: -0.167
local terms energy: -75.589927
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -221.554470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.554470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.554470 (E_RNA)
where:
Base-Base interactions energy: -149.293
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.115
local terms energy: -72.146069
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -193.632936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.632936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.632936 (E_RNA)
where:
Base-Base interactions energy: -125.310
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.287
local terms energy: -68.036430
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -15.851
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -175.330032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.330032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.330032 (E_RNA)
where:
Base-Base interactions energy: -108.343
where: short stacking energy: -44.887
Base-Backbone interact. energy: 0.057
local terms energy: -67.044212
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -175.760651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.760651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.760651 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.351
local terms energy: -51.970463
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -9.510
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: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -98.898809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.898809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.898809 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.371
local terms energy: -57.074005
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.076
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: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -122.444812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.444812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.444812 (E_RNA)
where:
Base-Base interactions energy: -72.939
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.218
local terms energy: -49.288390
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.881
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -81.554358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554358 (E_RNA)
where:
Base-Base interactions energy: -36.643
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.924
local terms energy: -43.987662
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -81.866717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866717 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.176
local terms energy: -55.831366
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -230.690052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.690052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.690052 (E_RNA)
where:
Base-Base interactions energy: -152.106
where: short stacking energy: -75.287
Base-Backbone interact. energy: -0.498
local terms energy: -78.086960
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -226.963251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.963251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963251 (E_RNA)
where:
Base-Base interactions energy: -150.032
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.303
local terms energy: -76.628533
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -220.904097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.904097 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.491
local terms energy: -83.095482
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -191.373075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.373075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.373075 (E_RNA)
where:
Base-Base interactions energy: -129.732
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.017
local terms energy: -61.623899
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -11.300
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: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -182.992661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.992661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.992661 (E_RNA)
where:
Base-Base interactions energy: -111.913
where: short stacking energy: -49.717
Base-Backbone interact. energy: -0.063
local terms energy: -71.016405
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.601
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -175.424941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424941 (E_RNA)
where:
Base-Base interactions energy: -109.499
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.011
local terms energy: -65.914900
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -14.516
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: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -152.147245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.147245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.147245 (E_RNA)
where:
Base-Base interactions energy: -91.570
where: short stacking energy: -43.707
Base-Backbone interact. energy: 0.062
local terms energy: -60.638619
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -98.286790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.286790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.286790 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.176
local terms energy: -54.216630
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -7.898
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: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -84.516558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.516558 (E_RNA)
where:
Base-Base interactions energy: -24.769
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.001
local terms energy: -59.746243
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -9.294
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -78.166408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.166408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.166408 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -19.094
Base-Backbone interact. energy: -0.410
local terms energy: -45.975404
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: 1.520
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: 111
Temperature: 0.900000
Total energy: -238.417645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.417645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.417645 (E_RNA)
where:
Base-Base interactions energy: -155.953
where: short stacking energy: -72.248
Base-Backbone interact. energy: -1.077
local terms energy: -81.387556
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -230.784311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.784311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.784311 (E_RNA)
where:
Base-Base interactions energy: -156.501
where: short stacking energy: -75.152
Base-Backbone interact. energy: 2.687
local terms energy: -76.970114
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -214.908038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908038 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.003
local terms energy: -80.320901
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -193.632770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.632770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.632770 (E_RNA)
where:
Base-Base interactions energy: -126.149
where: short stacking energy: -55.484
Base-Backbone interact. energy: -0.130
local terms energy: -67.353513
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -183.946949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.946949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.946949 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.115
local terms energy: -65.402022
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -180.358066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.358066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.358066 (E_RNA)
where:
Base-Base interactions energy: -106.404
where: short stacking energy: -47.684
Base-Backbone interact. energy: -0.003
local terms energy: -73.950584
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -169.148217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.148217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.148217 (E_RNA)
where:
Base-Base interactions energy: -108.303
where: short stacking energy: -50.743
Base-Backbone interact. energy: -0.336
local terms energy: -60.509360
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -12.058
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: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -83.405840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.405840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.405840 (E_RNA)
where:
Base-Base interactions energy: -23.503
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.055
local terms energy: -59.847977
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -3.503
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -80.092793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092793 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -36.553
Base-Backbone interact. energy: 0.576
local terms energy: -44.115248
where:
bonds (distance) C4'-P energy: -3.032
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -77.012770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.012770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.012770 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.986
local terms energy: -40.330379
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -218.634571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.634571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.634571 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.260
local terms energy: -69.460512
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -224.246882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.246882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.246882 (E_RNA)
where:
Base-Base interactions energy: -150.288
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.243
local terms energy: -73.716203
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -201.073727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.073727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.073727 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -73.445
Base-Backbone interact. energy: -0.007
local terms energy: -69.948856
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -227.227835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.227835 (E_RNA)
where:
Base-Base interactions energy: -148.342
where: short stacking energy: -77.138
Base-Backbone interact. energy: -0.576
local terms energy: -78.310584
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -202.804839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.804839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.804839 (E_RNA)
where:
Base-Base interactions energy: -130.963
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.030
local terms energy: -71.811864
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.988
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: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -172.188133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.188133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.188133 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -54.957
Base-Backbone interact. energy: -0.520
local terms energy: -67.059761
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -173.651701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.651701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.651701 (E_RNA)
where:
Base-Base interactions energy: -114.866
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.032
local terms energy: -58.753752
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -91.877230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.877230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.877230 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.034
local terms energy: -51.464492
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -93.175970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.175970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.175970 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.197
local terms energy: -59.923933
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -3.331
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: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -79.539343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539343 (E_RNA)
where:
Base-Base interactions energy: -28.633
where: short stacking energy: -26.245
Base-Backbone interact. energy: 0.253
local terms energy: -51.160038
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -223.125441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125441 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.000
local terms energy: -79.613575
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -199.326462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326462 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.005
local terms energy: -74.184584
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -209.742037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.742037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.742037 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.061
local terms energy: -73.617625
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -210.374742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.374742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.374742 (E_RNA)
where:
Base-Base interactions energy: -140.977
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.087
local terms energy: -69.311200
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -211.009508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.009508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.009508 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.002
local terms energy: -67.883227
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -182.223077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.223077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.223077 (E_RNA)
where:
Base-Base interactions energy: -116.871
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.004
local terms energy: -65.348701
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -163.090245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.090245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.090245 (E_RNA)
where:
Base-Base interactions energy: -103.384
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.167
local terms energy: -59.539432
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.690
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: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -105.410485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.410485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.410485 (E_RNA)
where:
Base-Base interactions energy: -55.915
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.175
local terms energy: -49.320643
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -87.788395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788395 (E_RNA)
where:
Base-Base interactions energy: -34.352
where: short stacking energy: -24.795
Base-Backbone interact. energy: -0.331
local terms energy: -53.105056
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: 0.630
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: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -93.994434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.994434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.994434 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -25.582
Base-Backbone interact. energy: -0.254
local terms energy: -51.033089
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -212.694232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.694232 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.062
local terms energy: -69.384339
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -227.926913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.926913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.926913 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -73.451
Base-Backbone interact. energy: -0.018
local terms energy: -77.119270
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -21.746
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: 114
Temperature: 1.000000
Total energy: -225.237912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.237912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237912 (E_RNA)
where:
Base-Base interactions energy: -151.207
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.002
local terms energy: -74.029300
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -186.462849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.462849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.462849 (E_RNA)
where:
Base-Base interactions energy: -117.812
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.189
local terms energy: -68.461396
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.197
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: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -207.840038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.840038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.840038 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -61.767
Base-Backbone interact. energy: 0.116
local terms energy: -67.132336
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -192.818034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818034 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -50.836
Base-Backbone interact. energy: -0.102
local terms energy: -53.925363
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -4.538
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: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -163.594727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.594727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.594727 (E_RNA)
where:
Base-Base interactions energy: -111.580
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.182
local terms energy: -51.833033
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -94.537471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.537471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.537471 (E_RNA)
where:
Base-Base interactions energy: -40.412
where: short stacking energy: -18.080
Base-Backbone interact. energy: -0.159
local terms energy: -53.966223
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -7.319
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: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -77.391827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.391827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.391827 (E_RNA)
where:
Base-Base interactions energy: -25.096
where: short stacking energy: -21.510
Base-Backbone interact. energy: 1.265
local terms energy: -53.561041
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -91.033098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.033098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.033098 (E_RNA)
where:
Base-Base interactions energy: -45.289
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.354
local terms energy: -45.389542
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -5.712
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: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -210.789530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.789530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.789530 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.504
local terms energy: -73.187165
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -226.456055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.456055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.456055 (E_RNA)
where:
Base-Base interactions energy: -148.885
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.000
local terms energy: -77.570559
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -21.314
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: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -221.142718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.142718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.142718 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.197
local terms energy: -79.332396
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.965
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -200.421212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.421212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.421212 (E_RNA)
where:
Base-Base interactions energy: -127.738
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.608
local terms energy: -72.075494
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -216.468555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468555 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.023
local terms energy: -74.485478
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -21.673
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: 115
Temperature: 1.150000
Total energy: -171.780041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780041 (E_RNA)
where:
Base-Base interactions energy: -106.331
where: short stacking energy: -50.346
Base-Backbone interact. energy: -0.112
local terms energy: -65.336518
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -181.698424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.698424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.698424 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -50.549
Base-Backbone interact. energy: 0.137
local terms energy: -58.967729
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -84.990945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990945 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -28.288
Base-Backbone interact. energy: -0.050
local terms energy: -56.239639
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -86.303496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.303496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.303496 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.104
local terms energy: -55.997988
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.813847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.813847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.813847 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -38.236
Base-Backbone interact. energy: 0.851
local terms energy: -41.975714
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -4.505
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: 116
Temperature: 0.900000
Total energy: -231.249342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.249342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.249342 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -77.289
Base-Backbone interact. energy: -0.000
local terms energy: -75.173078
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -21.397
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: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -197.150821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.150821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.150821 (E_RNA)
where:
Base-Base interactions energy: -142.130
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.152
local terms energy: -54.869288
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -218.845955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.845955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.845955 (E_RNA)
where:
Base-Base interactions energy: -137.953
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.189
local terms energy: -80.704036
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -217.049662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.049662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.049662 (E_RNA)
where:
Base-Base interactions energy: -144.221
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.034
local terms energy: -72.794493
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.656
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: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -207.448434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448434 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -56.141
Base-Backbone interact. energy: -1.035
local terms energy: -75.555655
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -172.843348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.843348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.843348 (E_RNA)
where:
Base-Base interactions energy: -106.856
where: short stacking energy: -48.755
Base-Backbone interact. energy: -0.002
local terms energy: -65.985824
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.524
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -173.951035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.951035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.951035 (E_RNA)
where:
Base-Base interactions energy: -110.555
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.668
local terms energy: -62.728094
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -10.385
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: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -110.343078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.343078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.343078 (E_RNA)
where:
Base-Base interactions energy: -49.885
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.006
local terms energy: -60.451842
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -77.236911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236911 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.004
local terms energy: -43.751610
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -70.718659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.718659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.718659 (E_RNA)
where:
Base-Base interactions energy: -26.331
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.879
local terms energy: -43.508256
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -225.369030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.369030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.369030 (E_RNA)
where:
Base-Base interactions energy: -149.559
where: short stacking energy: -75.153
Base-Backbone interact. energy: -0.001
local terms energy: -75.808443
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -226.525537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.525537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.525537 (E_RNA)
where:
Base-Base interactions energy: -147.415
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.001
local terms energy: -79.110040
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -207.287116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.287116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.287116 (E_RNA)
where:
Base-Base interactions energy: -138.553
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.056
local terms energy: -68.677503
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -214.612132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.612132 (E_RNA)
where:
Base-Base interactions energy: -146.988
where: short stacking energy: -70.124
Base-Backbone interact. energy: 0.280
local terms energy: -67.903916
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -215.917881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.917881 (E_RNA)
where:
Base-Base interactions energy: -141.139
where: short stacking energy: -69.701
Base-Backbone interact. energy: 0.853
local terms energy: -75.632503
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -155.116468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.116468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.116468 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.016
local terms energy: -66.140166
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.967
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -166.325459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.325459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.325459 (E_RNA)
where:
Base-Base interactions energy: -99.438
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.124
local terms energy: -66.763442
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -85.936267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936267 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -27.878
Base-Backbone interact. energy: -0.412
local terms energy: -47.106243
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -101.261877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.261877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.261877 (E_RNA)
where:
Base-Base interactions energy: -64.239
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.341
local terms energy: -36.681021
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -78.346186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.346186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.346186 (E_RNA)
where:
Base-Base interactions energy: -23.036
where: short stacking energy: -23.036
Base-Backbone interact. energy: 0.062
local terms energy: -55.372210
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -231.924886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.924886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.924886 (E_RNA)
where:
Base-Base interactions energy: -146.563
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.242
local terms energy: -85.120077
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -224.961134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961134 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -75.008
Base-Backbone interact. energy: -0.128
local terms energy: -76.485066
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -212.859223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.859223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.859223 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.846
local terms energy: -72.934685
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -182.215682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.215682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215682 (E_RNA)
where:
Base-Base interactions energy: -126.778
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.707
local terms energy: -54.731182
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -177.420760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.420760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.420760 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -49.442
Base-Backbone interact. energy: -0.134
local terms energy: -68.802211
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -193.857898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.857898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.857898 (E_RNA)
where:
Base-Base interactions energy: -122.753
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.761
local terms energy: -70.344133
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -173.104023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.104023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.104023 (E_RNA)
where:
Base-Base interactions energy: -115.483
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.220
local terms energy: -57.401344
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -10.622
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -104.286904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.286904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.286904 (E_RNA)
where:
Base-Base interactions energy: -59.287
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.283
local terms energy: -44.716867
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: 0.976
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -84.124016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.124016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.124016 (E_RNA)
where:
Base-Base interactions energy: -32.752
where: short stacking energy: -27.987
Base-Backbone interact. energy: 0.574
local terms energy: -51.946166
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -6.522
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: 118
Temperature: 1.350000
Total energy: -125.405539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.405539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.405539 (E_RNA)
where:
Base-Base interactions energy: -74.467
where: short stacking energy: -39.066
Base-Backbone interact. energy: -1.793
local terms energy: -49.145540
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -7.621
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -231.311068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.311068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.311068 (E_RNA)
where:
Base-Base interactions energy: -157.572
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.140
local terms energy: -73.599149
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -19.495
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: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -220.029721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.029721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.029721 (E_RNA)
where:
Base-Base interactions energy: -141.419
where: short stacking energy: -70.990
Base-Backbone interact. energy: -0.002
local terms energy: -78.609543
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -18.689
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -219.881944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.881944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.881944 (E_RNA)
where:
Base-Base interactions energy: -148.637
where: short stacking energy: -72.772
Base-Backbone interact. energy: -0.815
local terms energy: -70.429673
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -20.512
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -182.099198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.099198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.099198 (E_RNA)
where:
Base-Base interactions energy: -121.065
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.880
local terms energy: -60.154224
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -12.924
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: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -191.265618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.265618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.265618 (E_RNA)
where:
Base-Base interactions energy: -128.102
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.133
local terms energy: -63.031088
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -176.690096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.690096 (E_RNA)
where:
Base-Base interactions energy: -111.495
where: short stacking energy: -42.213
Base-Backbone interact. energy: 0.781
local terms energy: -65.976377
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -195.989115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.989115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.989115 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.039
local terms energy: -76.621814
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -84.998823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998823 (E_RNA)
where:
Base-Base interactions energy: -32.919
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.121
local terms energy: -51.958638
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -102.634229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.634229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.634229 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -24.561
Base-Backbone interact. energy: -0.155
local terms energy: -56.841195
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -93.706587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706587 (E_RNA)
where:
Base-Base interactions energy: -47.814
where: short stacking energy: -23.755
Base-Backbone interact. energy: -0.115
local terms energy: -45.777423
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -229.023219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.023219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.023219 (E_RNA)
where:
Base-Base interactions energy: -152.817
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.419
local terms energy: -75.787991
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -224.571592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.571592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.571592 (E_RNA)
where:
Base-Base interactions energy: -149.260
where: short stacking energy: -70.815
Base-Backbone interact. energy: -0.156
local terms energy: -75.155656
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -216.488344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.488344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.488344 (E_RNA)
where:
Base-Base interactions energy: -142.132
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.029
local terms energy: -74.326553
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -188.662395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.662395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.662395 (E_RNA)
where:
Base-Base interactions energy: -123.462
where: short stacking energy: -52.127
Base-Backbone interact. energy: -1.103
local terms energy: -64.097626
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -11.218
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: 120
Temperature: 1.100000
Total energy: -203.307389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307389 (E_RNA)
where:
Base-Base interactions energy: -139.761
where: short stacking energy: -64.366
Base-Backbone interact. energy: -0.093
local terms energy: -63.453423
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -184.037216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.037216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.037216 (E_RNA)
where:
Base-Base interactions energy: -121.234
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.046
local terms energy: -62.756642
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -167.435137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.435137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.435137 (E_RNA)
where:
Base-Base interactions energy: -105.182
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.390
local terms energy: -61.863416
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -85.003177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.003177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.003177 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -23.025
Base-Backbone interact. energy: 0.520
local terms energy: -51.481453
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -2.649
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: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -82.965540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.965540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.965540 (E_RNA)
where:
Base-Base interactions energy: -33.066
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.453
local terms energy: -49.446273
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.832297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.832297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.832297 (E_RNA)
where:
Base-Base interactions energy: -43.618
where: short stacking energy: -22.741
Base-Backbone interact. energy: -0.319
local terms energy: -38.895532
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -214.560866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560866 (E_RNA)
where:
Base-Base interactions energy: -139.382
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.704
local terms energy: -74.474783
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -227.749906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.749906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.749906 (E_RNA)
where:
Base-Base interactions energy: -153.319
where: short stacking energy: -74.469
Base-Backbone interact. energy: -0.005
local terms energy: -74.425795
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -215.416241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.416241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.416241 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.048
local terms energy: -74.961036
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -196.538050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.538050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.538050 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.135
local terms energy: -61.531726
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -184.446815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.446815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.446815 (E_RNA)
where:
Base-Base interactions energy: -116.761
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.062
local terms energy: -67.623049
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -192.299724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.299724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.299724 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.392
local terms energy: -63.300171
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -12.002
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: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -186.688085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.688085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.688085 (E_RNA)
where:
Base-Base interactions energy: -123.230
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.145
local terms energy: -63.312603
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -98.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.192736 (E_RNA)
where:
Base-Base interactions energy: -55.291
where: short stacking energy: -33.145
Base-Backbone interact. energy: 0.350
local terms energy: -43.251334
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -8.922
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: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -86.508646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508646 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -31.496
Base-Backbone interact. energy: -0.171
local terms energy: -54.841187
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -7.022
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: 121
Temperature: 1.350000
Total energy: -73.319133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.319133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.319133 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -21.522
Base-Backbone interact. energy: 0.858
local terms energy: -39.864703
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.997461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.997461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.997461 (E_RNA)
where:
Base-Base interactions energy: -146.242
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.001
local terms energy: -81.753969
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -225.657996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.657996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.657996 (E_RNA)
where:
Base-Base interactions energy: -145.291
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.321
local terms energy: -80.046127
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -219.477520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.477520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.477520 (E_RNA)
where:
Base-Base interactions energy: -148.215
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.031
local terms energy: -71.232315
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -193.636391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.636391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.636391 (E_RNA)
where:
Base-Base interactions energy: -126.743
where: short stacking energy: -57.597
Base-Backbone interact. energy: -0.043
local terms energy: -66.850339
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -192.511115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.511115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.511115 (E_RNA)
where:
Base-Base interactions energy: -127.494
where: short stacking energy: -67.507
Base-Backbone interact. energy: 0.203
local terms energy: -65.219533
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -183.482067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.482067 (E_RNA)
where:
Base-Base interactions energy: -121.811
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.142
local terms energy: -61.528179
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -110.400938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.400938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.400938 (E_RNA)
where:
Base-Base interactions energy: -67.777
where: short stacking energy: -28.897
Base-Backbone interact. energy: 0.095
local terms energy: -42.718766
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: 0.086
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -89.935179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.935179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.935179 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -20.356
Base-Backbone interact. energy: -0.426
local terms energy: -50.680406
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -87.459657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459657 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -18.959
Base-Backbone interact. energy: -0.010
local terms energy: -54.205856
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -81.250529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.250529 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.059
local terms energy: -44.425817
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -232.533394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.533394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.533394 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -79.713
Base-Backbone interact. energy: -0.309
local terms energy: -80.946937
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -20.982
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -227.179944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179944 (E_RNA)
where:
Base-Base interactions energy: -149.332
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.100
local terms energy: -77.747802
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -218.923248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.923248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.923248 (E_RNA)
where:
Base-Base interactions energy: -140.549
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.001
local terms energy: -78.373355
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -195.731683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.731683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.731683 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.008
local terms energy: -71.134790
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -189.062586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.062586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.062586 (E_RNA)
where:
Base-Base interactions energy: -121.731
where: short stacking energy: -65.337
Base-Backbone interact. energy: 0.025
local terms energy: -67.356104
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -15.989
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: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -181.523223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.523223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.523223 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -49.363
Base-Backbone interact. energy: -0.016
local terms energy: -59.778887
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -84.623106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623106 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -21.554
Base-Backbone interact. energy: -1.768
local terms energy: -48.585801
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -88.888771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888771 (E_RNA)
where:
Base-Base interactions energy: -43.710
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.450
local terms energy: -44.728737
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -87.658592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.658592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.658592 (E_RNA)
where:
Base-Base interactions energy: -36.650
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.298
local terms energy: -50.710686
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -79.520793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520793 (E_RNA)
where:
Base-Base interactions energy: -31.547
where: short stacking energy: -27.179
Base-Backbone interact. energy: -0.206
local terms energy: -47.768401
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -4.821
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: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -231.003242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.003242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.003242 (E_RNA)
where:
Base-Base interactions energy: -153.658
where: short stacking energy: -76.838
Base-Backbone interact. energy: -0.023
local terms energy: -77.321905
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -213.536296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536296 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.005
local terms energy: -66.879682
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -218.889746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.889746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.889746 (E_RNA)
where:
Base-Base interactions energy: -140.770
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.051
local terms energy: -78.069592
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -196.998111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.998111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.998111 (E_RNA)
where:
Base-Base interactions energy: -126.751
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.013
local terms energy: -70.234182
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -190.065756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.065756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.065756 (E_RNA)
where:
Base-Base interactions energy: -123.278
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.201
local terms energy: -66.586747
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -176.806516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.806516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.806516 (E_RNA)
where:
Base-Base interactions energy: -111.243
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.058
local terms energy: -65.505486
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -16.399
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -95.809675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.809675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.809675 (E_RNA)
where:
Base-Base interactions energy: -46.701
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.292
local terms energy: -48.817137
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -81.682432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682432 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.877
local terms energy: -45.895211
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -73.418796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.418796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.418796 (E_RNA)
where:
Base-Base interactions energy: -23.168
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.028
local terms energy: -50.222474
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.302708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302708 (E_RNA)
where:
Base-Base interactions energy: -25.670
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.141
local terms energy: -52.491962
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -234.256444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.256444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.256444 (E_RNA)
where:
Base-Base interactions energy: -153.170
where: short stacking energy: -76.623
Base-Backbone interact. energy: -0.019
local terms energy: -81.067004
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -225.602469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.602469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.602469 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -69.887
Base-Backbone interact. energy: -1.495
local terms energy: -75.273974
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -24.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.599882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.599882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.599882 (E_RNA)
where:
Base-Base interactions energy: -138.377
where: short stacking energy: -71.592
Base-Backbone interact. energy: -0.024
local terms energy: -75.199384
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -22.530
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: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -191.935155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935155 (E_RNA)
where:
Base-Base interactions energy: -125.273
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.115
local terms energy: -66.547030
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -183.774373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.774373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.774373 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -47.828
Base-Backbone interact. energy: 0.572
local terms energy: -61.283896
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -178.141777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.141777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.141777 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.648
local terms energy: -64.420653
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -92.239752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.239752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.239752 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.233
local terms energy: -49.961794
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -80.037651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.037651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.037651 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -22.517
Base-Backbone interact. energy: -1.212
local terms energy: -51.615042
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -91.368738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.368738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.368738 (E_RNA)
where:
Base-Base interactions energy: -42.300
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.163
local terms energy: -48.905679
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -76.939074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939074 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.014
local terms energy: -49.277001
where:
bonds (distance) C4'-P energy: -5.607
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -227.235684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.235684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.235684 (E_RNA)
where:
Base-Base interactions energy: -148.761
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.319
local terms energy: -78.155675
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -22.525
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: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -228.013730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.013730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.013730 (E_RNA)
where:
Base-Base interactions energy: -150.574
where: short stacking energy: -73.444
Base-Backbone interact. energy: -0.001
local terms energy: -77.439048
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -192.777692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.777692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.777692 (E_RNA)
where:
Base-Base interactions energy: -125.899
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.104
local terms energy: -66.774305
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -211.546178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.546178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.546178 (E_RNA)
where:
Base-Base interactions energy: -141.585
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.062
local terms energy: -69.899708
where:
bonds (distance) C4'-P energy: -7.474
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -197.295335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.295335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.295335 (E_RNA)
where:
Base-Base interactions energy: -125.880
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.002
local terms energy: -71.412947
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -185.269637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.269637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.269637 (E_RNA)
where:
Base-Base interactions energy: -110.512
where: short stacking energy: -55.732
Base-Backbone interact. energy: -1.374
local terms energy: -73.384261
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -90.837960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.837960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.837960 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.684
local terms energy: -55.782111
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -93.603236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.603236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.603236 (E_RNA)
where:
Base-Base interactions energy: -45.895
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.154
local terms energy: -47.554060
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -79.353596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.353596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.353596 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -32.092
Base-Backbone interact. energy: 0.644
local terms energy: -44.600771
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -69.661893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.661893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.661893 (E_RNA)
where:
Base-Base interactions energy: -23.040
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.042
local terms energy: -46.579850
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -232.900563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.900563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.900563 (E_RNA)
where:
Base-Base interactions energy: -150.949
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.042
local terms energy: -81.909751
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -200.538944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538944 (E_RNA)
where:
Base-Base interactions energy: -132.637
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.002
local terms energy: -67.899293
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -13.293
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: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -231.689963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.689963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.689963 (E_RNA)
where:
Base-Base interactions energy: -149.101
where: short stacking energy: -73.296
Base-Backbone interact. energy: -1.245
local terms energy: -81.343793
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -202.833240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.833240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.833240 (E_RNA)
where:
Base-Base interactions energy: -135.956
where: short stacking energy: -60.641
Base-Backbone interact. energy: 0.016
local terms energy: -66.892804
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -205.619072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.619072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.619072 (E_RNA)
where:
Base-Base interactions energy: -125.692
where: short stacking energy: -58.886
Base-Backbone interact. energy: 0.317
local terms energy: -80.244523
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -183.701863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.701863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.701863 (E_RNA)
where:
Base-Base interactions energy: -119.017
where: short stacking energy: -62.408
Base-Backbone interact. energy: 0.190
local terms energy: -64.874677
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -103.683451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.683451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.683451 (E_RNA)
where:
Base-Base interactions energy: -47.759
where: short stacking energy: -34.690
Base-Backbone interact. energy: 3.605
local terms energy: -59.529205
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -84.916228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.916228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.916228 (E_RNA)
where:
Base-Base interactions energy: -37.679
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.224
local terms energy: -47.013115
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -84.219042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.219042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.219042 (E_RNA)
where:
Base-Base interactions energy: -23.785
where: short stacking energy: -23.785
Base-Backbone interact. energy: -1.339
local terms energy: -59.095370
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -5.211
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: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -84.373628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.373628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.373628 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.424
local terms energy: -38.551053
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -221.128830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.128830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.128830 (E_RNA)
where:
Base-Base interactions energy: -143.600
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.036
local terms energy: -77.493128
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -22.008
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: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -196.699550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.699550 (E_RNA)
where:
Base-Base interactions energy: -125.857
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.005
local terms energy: -70.838100
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -219.078940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.078940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.078940 (E_RNA)
where:
Base-Base interactions energy: -142.274
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.212
local terms energy: -76.592379
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -22.072
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: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -202.611390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611390 (E_RNA)
where:
Base-Base interactions energy: -133.083
where: short stacking energy: -60.600
Base-Backbone interact. energy: -1.642
local terms energy: -67.886797
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -187.696722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.696722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.696722 (E_RNA)
where:
Base-Base interactions energy: -125.079
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.415
local terms energy: -62.202300
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -5.728
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: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -198.676824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.676824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.676824 (E_RNA)
where:
Base-Base interactions energy: -132.527
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.109
local terms energy: -66.040922
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -10.096
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -95.762355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.762355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.762355 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -34.981
Base-Backbone interact. energy: -0.068
local terms energy: -60.713321
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.422
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: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -132.922437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.922437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.922437 (E_RNA)
where:
Base-Base interactions energy: -84.522
where: short stacking energy: -43.025
Base-Backbone interact. energy: -0.082
local terms energy: -48.317599
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -81.772636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772636 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -29.656
Base-Backbone interact. energy: 0.994
local terms energy: -50.466484
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -68.814556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.814556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.814556 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.156
local terms energy: -45.737362
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -5.335
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: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -222.594960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.594960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.594960 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.436
local terms energy: -78.435376
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -225.691021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.691021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.691021 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -72.777
Base-Backbone interact. energy: -0.001
local terms energy: -76.487120
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -23.491
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: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -185.568421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.568421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.568421 (E_RNA)
where:
Base-Base interactions energy: -125.262
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.026
local terms energy: -60.280313
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -185.331867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.331867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.331867 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -47.655
Base-Backbone interact. energy: -0.228
local terms energy: -61.308629
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -178.341538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.341538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.341538 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.020
local terms energy: -63.223430
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -209.416077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416077 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.711
local terms energy: -65.180290
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -8.864
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -84.730258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.730258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.730258 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -32.480
Base-Backbone interact. energy: 0.307
local terms energy: -52.071202
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -4.517
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: 129
Temperature: 1.250000
Total energy: -162.767948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.767948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.767948 (E_RNA)
where:
Base-Base interactions energy: -96.321
where: short stacking energy: -48.553
Base-Backbone interact. energy: -0.297
local terms energy: -66.149665
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -81.501009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.501009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.501009 (E_RNA)
where:
Base-Base interactions energy: -29.588
where: short stacking energy: -27.403
Base-Backbone interact. energy: -0.120
local terms energy: -51.793789
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -87.181377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181377 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -20.641
Base-Backbone interact. energy: 0.230
local terms energy: -34.464724
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.920815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.920815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.920815 (E_RNA)
where:
Base-Base interactions energy: -160.353
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.035
local terms energy: -70.532549
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -213.002853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.002853 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.050
local terms energy: -76.543892
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -184.330962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.330962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.330962 (E_RNA)
where:
Base-Base interactions energy: -114.759
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.833
local terms energy: -68.739489
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -187.844252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.844252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.844252 (E_RNA)
where:
Base-Base interactions energy: -121.540
where: short stacking energy: -53.607
Base-Backbone interact. energy: -0.170
local terms energy: -66.133439
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -203.598056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.598056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.598056 (E_RNA)
where:
Base-Base interactions energy: -127.333
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.083
local terms energy: -76.182554
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -177.026243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026243 (E_RNA)
where:
Base-Base interactions energy: -115.562
where: short stacking energy: -60.223
Base-Backbone interact. energy: -0.045
local terms energy: -61.419708
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -158.200472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.200472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.200472 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -50.701
Base-Backbone interact. energy: -0.204
local terms energy: -60.625616
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -6.402
flat angles P-C4'-P energy: -8.155
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: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -89.749968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.749968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.749968 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -28.221
Base-Backbone interact. energy: -0.011
local terms energy: -49.210227
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -79.410337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.410337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.410337 (E_RNA)
where:
Base-Base interactions energy: -23.304
where: short stacking energy: -23.304
Base-Backbone interact. energy: -1.082
local terms energy: -55.024253
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -8.298
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: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -77.641850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.641850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.641850 (E_RNA)
where:
Base-Base interactions energy: -29.078
where: short stacking energy: -23.931
Base-Backbone interact. energy: -0.120
local terms energy: -48.444358
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -232.268073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.268073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.268073 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.008
local terms energy: -77.355042
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -209.858966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.858966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.858966 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -64.658
Base-Backbone interact. energy: 2.142
local terms energy: -72.793612
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -190.444297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.444297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.444297 (E_RNA)
where:
Base-Base interactions energy: -120.287
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.553
local terms energy: -69.603655
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -191.924620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.924620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.924620 (E_RNA)
where:
Base-Base interactions energy: -125.143
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.012
local terms energy: -66.769566
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -5.304
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: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -184.456956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.456956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.456956 (E_RNA)
where:
Base-Base interactions energy: -113.761
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.005
local terms energy: -70.691546
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -178.398168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.398168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.398168 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -52.440
Base-Backbone interact. energy: 0.832
local terms energy: -59.961920
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -169.723587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.723587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.723587 (E_RNA)
where:
Base-Base interactions energy: -109.239
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.003
local terms energy: -60.481277
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -80.769529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.769529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.769529 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -17.900
Base-Backbone interact. energy: -0.164
local terms energy: -50.293418
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -5.151
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: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -85.849746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849746 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -33.484
Base-Backbone interact. energy: -0.030
local terms energy: -47.673172
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -72.475207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.475207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.475207 (E_RNA)
where:
Base-Base interactions energy: -17.964
where: short stacking energy: -13.287
Base-Backbone interact. energy: -0.986
local terms energy: -53.524995
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: 2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -232.208972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.208972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.208972 (E_RNA)
where:
Base-Base interactions energy: -153.737
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.057
local terms energy: -78.414759
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.160
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -211.282627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.282627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.282627 (E_RNA)
where:
Base-Base interactions energy: -136.412
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.096
local terms energy: -74.774777
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -18.091
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: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
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: -139.116
where: short stacking energy: -74.454
Base-Backbone interact. energy: -0.045
local terms energy: -74.743925
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -186.303070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.303070 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -62.500
Base-Backbone interact. energy: 0.038
local terms energy: -68.089359
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -186.625610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.625610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.625610 (E_RNA)
where:
Base-Base interactions energy: -122.670
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.114
local terms energy: -63.841077
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -12.206
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: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -181.945026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.945026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.945026 (E_RNA)
where:
Base-Base interactions energy: -130.195
where: short stacking energy: -61.049
Base-Backbone interact. energy: 0.706
local terms energy: -52.455886
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -181.414752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.414752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.414752 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.131
local terms energy: -62.802545
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -2.060
tors. eta vs tors. theta energy: -17.955
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: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -106.042795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.042795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.042795 (E_RNA)
where:
Base-Base interactions energy: -54.387
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.023
local terms energy: -51.632321
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -4.559
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: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -87.531121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.531121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.531121 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.501
local terms energy: -50.646773
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -90.216505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.216505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.216505 (E_RNA)
where:
Base-Base interactions energy: -39.699
where: short stacking energy: -31.947
Base-Backbone interact. energy: -0.119
local terms energy: -50.398094
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -226.213060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.213060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.213060 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.009
local terms energy: -77.734628
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -214.920689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.920689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.920689 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -77.290
Base-Backbone interact. energy: -0.000
local terms energy: -78.780294
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -210.266094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.266094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.266094 (E_RNA)
where:
Base-Base interactions energy: -137.850
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.079
local terms energy: -72.337380
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -200.481941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481941 (E_RNA)
where:
Base-Base interactions energy: -125.928
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.007
local terms energy: -74.546946
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -15.739
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: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -166.083368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.083368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.083368 (E_RNA)
where:
Base-Base interactions energy: -98.890
where: short stacking energy: -42.379
Base-Backbone interact. energy: -0.148
local terms energy: -67.044792
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -174.815003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.815003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.815003 (E_RNA)
where:
Base-Base interactions energy: -113.754
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.050
local terms energy: -61.011236
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.190
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -181.096878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.096878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.096878 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -58.750
Base-Backbone interact. energy: 0.005
local terms energy: -61.838542
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -10.098
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -126.519413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.519413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.519413 (E_RNA)
where:
Base-Base interactions energy: -76.327
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.492
local terms energy: -49.700122
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -9.919
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: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -75.836897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.836897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.836897 (E_RNA)
where:
Base-Base interactions energy: -26.656
where: short stacking energy: -22.302
Base-Backbone interact. energy: -0.076
local terms energy: -49.104597
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: 0.137
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: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -76.282033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.282033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.282033 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -17.023
Base-Backbone interact. energy: -0.368
local terms energy: -32.724632
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -1.066
tors. eta vs tors. theta energy: 4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -232.574799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.574799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.574799 (E_RNA)
where:
Base-Base interactions energy: -154.732
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.337
local terms energy: -77.506464
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -212.885513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885513 (E_RNA)
where:
Base-Base interactions energy: -138.337
where: short stacking energy: -73.535
Base-Backbone interact. energy: -0.019
local terms energy: -74.528587
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -211.887463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.887463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.887463 (E_RNA)
where:
Base-Base interactions energy: -137.910
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.494
local terms energy: -73.482797
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -193.762065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.762065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.762065 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.157
local terms energy: -74.770634
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -18.242
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: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -182.161044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.161044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.161044 (E_RNA)
where:
Base-Base interactions energy: -111.669
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.075
local terms energy: -70.417378
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -13.586
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: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -181.521342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.521342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.521342 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -53.808
Base-Backbone interact. energy: -0.026
local terms energy: -63.142985
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -171.550680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.550680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.550680 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.047
local terms energy: -59.848825
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -10.391
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: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -99.495422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.495422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.495422 (E_RNA)
where:
Base-Base interactions energy: -50.723
where: short stacking energy: -27.355
Base-Backbone interact. energy: 0.710
local terms energy: -49.483016
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -79.793093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.793093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.793093 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.143
local terms energy: -50.124494
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -82.132175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132175 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -29.488
Base-Backbone interact. energy: 2.291
local terms energy: -51.582233
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -2.576
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: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -228.612341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.612341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.612341 (E_RNA)
where:
Base-Base interactions energy: -150.926
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.013
local terms energy: -77.674235
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -228.441478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.441478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.441478 (E_RNA)
where:
Base-Base interactions energy: -149.158
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.044
local terms energy: -79.239498
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -21.048
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: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -209.868225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.868225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.868225 (E_RNA)
where:
Base-Base interactions energy: -135.102
where: short stacking energy: -70.295
Base-Backbone interact. energy: 2.737
local terms energy: -77.503182
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -178.648384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.648384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.648384 (E_RNA)
where:
Base-Base interactions energy: -113.006
where: short stacking energy: -66.914
Base-Backbone interact. energy: 3.145
local terms energy: -68.787567
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -181.685583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685583 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.586
local terms energy: -63.990138
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -6.341
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: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -184.447437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.447437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.447437 (E_RNA)
where:
Base-Base interactions energy: -120.701
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.017
local terms energy: -63.729685
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -175.540405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.540405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.540405 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.009
local terms energy: -65.483157
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.062
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: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -83.807651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.807651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.807651 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -31.979
Base-Backbone interact. energy: 0.210
local terms energy: -51.291928
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -82.239480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239480 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.011
local terms energy: -53.195225
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -1.609
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: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -90.342528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.342528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.342528 (E_RNA)
where:
Base-Base interactions energy: -45.875
where: short stacking energy: -26.305
Base-Backbone interact. energy: -0.273
local terms energy: -44.194250
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -5.520
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -227.880234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.880234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.880234 (E_RNA)
where:
Base-Base interactions energy: -146.308
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.006
local terms energy: -81.566459
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -20.822
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: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -215.825524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.825524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.825524 (E_RNA)
where:
Base-Base interactions energy: -145.487
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.007
local terms energy: -70.331070
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -194.293034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293034 (E_RNA)
where:
Base-Base interactions energy: -124.390
where: short stacking energy: -61.888
Base-Backbone interact. energy: -1.217
local terms energy: -68.686094
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -208.927536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.927536 (E_RNA)
where:
Base-Base interactions energy: -135.884
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.027
local terms energy: -73.015970
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -179.928104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.928104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.928104 (E_RNA)
where:
Base-Base interactions energy: -113.183
where: short stacking energy: -52.505
Base-Backbone interact. energy: 0.698
local terms energy: -67.443650
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -180.549974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.549974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.549974 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -60.269
Base-Backbone interact. energy: -0.024
local terms energy: -58.760129
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -182.327226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.327226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.327226 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.283
local terms energy: -61.464319
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -82.701307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.701307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.701307 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -24.372
Base-Backbone interact. energy: -0.223
local terms energy: -50.044962
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -7.916
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: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -87.605340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605340 (E_RNA)
where:
Base-Base interactions energy: -43.255
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.113
local terms energy: -44.237305
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -4.374
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -74.830800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.830800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.830800 (E_RNA)
where:
Base-Base interactions energy: -23.959
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.886
local terms energy: -49.985279
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -1.633
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: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -223.893702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.893702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.893702 (E_RNA)
where:
Base-Base interactions energy: -145.094
where: short stacking energy: -74.352
Base-Backbone interact. energy: -0.003
local terms energy: -78.796952
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -21.123
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -196.748156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.748156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.748156 (E_RNA)
where:
Base-Base interactions energy: -123.197
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.037
local terms energy: -73.513822
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -211.790642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.790642 (E_RNA)
where:
Base-Base interactions energy: -132.595
where: short stacking energy: -61.414
Base-Backbone interact. energy: 0.217
local terms energy: -79.412760
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -18.487
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: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -208.424955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.424955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.424955 (E_RNA)
where:
Base-Base interactions energy: -133.658
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.636
local terms energy: -74.130991
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.749
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -182.219432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.219432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.219432 (E_RNA)
where:
Base-Base interactions energy: -121.409
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.008
local terms energy: -60.802682
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -187.526883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.526883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.526883 (E_RNA)
where:
Base-Base interactions energy: -128.074
where: short stacking energy: -63.855
Base-Backbone interact. energy: 1.122
local terms energy: -60.574932
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -191.401061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.401061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.401061 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -53.503
Base-Backbone interact. energy: -0.526
local terms energy: -67.310523
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -117.870405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.870405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.870405 (E_RNA)
where:
Base-Base interactions energy: -68.595
where: short stacking energy: -34.736
Base-Backbone interact. energy: 0.566
local terms energy: -49.841775
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -74.420959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.420959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.420959 (E_RNA)
where:
Base-Base interactions energy: -34.652
where: short stacking energy: -16.533
Base-Backbone interact. energy: -0.210
local terms energy: -39.559541
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -77.764005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764005 (E_RNA)
where:
Base-Base interactions energy: -24.165
where: short stacking energy: -24.165
Base-Backbone interact. energy: 1.646
local terms energy: -55.244886
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -9.105
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -231.594077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594077 (E_RNA)
where:
Base-Base interactions energy: -155.710
where: short stacking energy: -74.906
Base-Backbone interact. energy: -0.239
local terms energy: -75.645012
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -19.851
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -192.896857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.896857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.896857 (E_RNA)
where:
Base-Base interactions energy: -121.088
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.250
local terms energy: -71.558330
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -214.205762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.205762 (E_RNA)
where:
Base-Base interactions energy: -144.806
where: short stacking energy: -69.136
Base-Backbone interact. energy: -0.032
local terms energy: -69.367841
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -18.393
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: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -201.209366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.209366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.209366 (E_RNA)
where:
Base-Base interactions energy: -132.718
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.001
local terms energy: -68.491326
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -180.580528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.580528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.580528 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.310
local terms energy: -54.137116
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -9.456
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: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -189.442486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.442486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.442486 (E_RNA)
where:
Base-Base interactions energy: -121.950
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.009
local terms energy: -67.483461
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -10.578
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: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -180.557539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.557539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.557539 (E_RNA)
where:
Base-Base interactions energy: -125.144
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.615
local terms energy: -54.798789
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -7.186
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -5.348
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: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -94.786157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786157 (E_RNA)
where:
Base-Base interactions energy: -52.828
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.535
local terms energy: -41.422939
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -2.586
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -85.348320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348320 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -33.170
Base-Backbone interact. energy: 0.812
local terms energy: -38.131316
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -73.023018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.023018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.023018 (E_RNA)
where:
Base-Base interactions energy: -20.889
where: short stacking energy: -17.826
Base-Backbone interact. energy: -0.078
local terms energy: -52.055586
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -11.403
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: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -225.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.003055 (E_RNA)
where:
Base-Base interactions energy: -147.889
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.000
local terms energy: -77.113961
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -229.429151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.429151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.429151 (E_RNA)
where:
Base-Base interactions energy: -145.831
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.723
local terms energy: -82.875230
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -195.349155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.349155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.349155 (E_RNA)
where:
Base-Base interactions energy: -123.565
where: short stacking energy: -60.584
Base-Backbone interact. energy: 0.123
local terms energy: -71.907022
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -190.011542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.011542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.011542 (E_RNA)
where:
Base-Base interactions energy: -123.417
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.104
local terms energy: -66.490533
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -193.992165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.992165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.992165 (E_RNA)
where:
Base-Base interactions energy: -130.205
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.116
local terms energy: -63.671670
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -191.242837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.242837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.242837 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.012
local terms energy: -64.358185
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -184.140338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140338 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -53.627
Base-Backbone interact. energy: 0.258
local terms energy: -64.712136
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -9.955
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: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -85.774319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774319 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.115
local terms energy: -47.570520
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -81.014753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.014753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.014753 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -24.738
Base-Backbone interact. energy: 1.160
local terms energy: -44.913968
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -0.982
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: 139
Temperature: 1.350000
Total energy: -78.732333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732333 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -23.479
Base-Backbone interact. energy: -0.385
local terms energy: -41.217588
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -5.307
flat angles P-C4'-P energy: -3.197
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: 140
Temperature: 0.900000
Total energy: -227.592221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592221 (E_RNA)
where:
Base-Base interactions energy: -147.383
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.443
local terms energy: -79.766002
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -23.293
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: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -224.735169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.735169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.735169 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.008
local terms energy: -78.110025
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -20.610
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -195.416402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.416402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.416402 (E_RNA)
where:
Base-Base interactions energy: -122.533
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.079
local terms energy: -72.804554
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -11.742
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: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -183.277644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.277644 (E_RNA)
where:
Base-Base interactions energy: -122.826
where: short stacking energy: -52.637
Base-Backbone interact. energy: -0.330
local terms energy: -60.121344
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -2.662
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: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -208.025771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.025771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.025771 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.486
local terms energy: -67.330382
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -165.971025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.971025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.971025 (E_RNA)
where:
Base-Base interactions energy: -104.423
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.041
local terms energy: -61.507187
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -164.528328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.528328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.528328 (E_RNA)
where:
Base-Base interactions energy: -107.770
where: short stacking energy: -47.604
Base-Backbone interact. energy: -0.095
local terms energy: -56.663942
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -9.955
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -82.818651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.818651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.818651 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.142
local terms energy: -49.257477
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -5.791
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -78.568947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568947 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -20.893
Base-Backbone interact. energy: -1.188
local terms energy: -42.430084
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -0.374
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: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -75.150028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.150028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.150028 (E_RNA)
where:
Base-Base interactions energy: -22.683
where: short stacking energy: -16.031
Base-Backbone interact. energy: -0.776
local terms energy: -51.691655
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -235.473906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473906 (E_RNA)
where:
Base-Base interactions energy: -153.564
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.001
local terms energy: -81.908619
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -187.446784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.446784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.446784 (E_RNA)
where:
Base-Base interactions energy: -123.303
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.011
local terms energy: -64.132780
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -231.433076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.433076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.433076 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -77.138
Base-Backbone interact. energy: 1.900
local terms energy: -78.113992
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -222.754610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.754610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.754610 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.182
local terms energy: -73.762515
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -175.964452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.964452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.964452 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.586
local terms energy: -56.780357
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -189.986021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986021 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.298
local terms energy: -59.475884
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -121.732648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.732648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.732648 (E_RNA)
where:
Base-Base interactions energy: -71.258
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.047
local terms energy: -50.427672
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -3.449
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: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -77.191305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.191305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.191305 (E_RNA)
where:
Base-Base interactions energy: -30.490
where: short stacking energy: -24.561
Base-Backbone interact. energy: -0.171
local terms energy: -46.529711
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -83.715402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.715402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.715402 (E_RNA)
where:
Base-Base interactions energy: -40.969
where: short stacking energy: -20.091
Base-Backbone interact. energy: 0.572
local terms energy: -43.317868
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -72.619015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.619015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.619015 (E_RNA)
where:
Base-Base interactions energy: -22.975
where: short stacking energy: -22.203
Base-Backbone interact. energy: -0.025
local terms energy: -49.618643
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -235.345012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.345012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.345012 (E_RNA)
where:
Base-Base interactions energy: -153.259
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.036
local terms energy: -82.049862
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -190.736231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.736231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.736231 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.039
local terms energy: -61.378577
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -8.498
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: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -223.369791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.369791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.369791 (E_RNA)
where:
Base-Base interactions energy: -151.239
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.165
local terms energy: -71.965590
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -222.790311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.790311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.790311 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.250
local terms energy: -72.201485
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -170.040623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040623 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -37.354
Base-Backbone interact. energy: 1.277
local terms energy: -64.644193
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -185.515115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515115 (E_RNA)
where:
Base-Base interactions energy: -119.558
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.497
local terms energy: -65.460190
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -97.193805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193805 (E_RNA)
where:
Base-Base interactions energy: -43.705
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.005
local terms energy: -53.484233
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -97.265165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265165 (E_RNA)
where:
Base-Base interactions energy: -44.662
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.021
local terms energy: -52.582990
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -4.142
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: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -81.484222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484222 (E_RNA)
where:
Base-Base interactions energy: -38.200
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.173
local terms energy: -43.111035
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -109.458183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.458183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.458183 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.106
local terms energy: -50.980472
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -5.343
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -235.225695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.225695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.225695 (E_RNA)
where:
Base-Base interactions energy: -152.400
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.431
local terms energy: -82.394965
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -214.531116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.531116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.531116 (E_RNA)
where:
Base-Base interactions energy: -141.832
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.000
local terms energy: -72.698464
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -195.148263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.148263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.148263 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.246
local terms energy: -62.728946
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -213.152779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.152779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.152779 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.014
local terms energy: -66.685612
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -175.839194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.839194 (E_RNA)
where:
Base-Base interactions energy: -110.404
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.708
local terms energy: -64.727005
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -173.534904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.534904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.534904 (E_RNA)
where:
Base-Base interactions energy: -110.717
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.590
local terms energy: -62.227754
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -11.394
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: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -91.486407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486407 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.173
local terms energy: -52.338870
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -4.609
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: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -93.892521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.892521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.892521 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.215
local terms energy: -54.129087
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -97.325288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.325288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.325288 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.074
local terms energy: -56.452793
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -112.151248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.151248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.151248 (E_RNA)
where:
Base-Base interactions energy: -73.692
where: short stacking energy: -35.078
Base-Backbone interact. energy: 1.505
local terms energy: -39.964662
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -2.765
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: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -222.971710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.971710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.971710 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.012
local terms energy: -77.419465
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -228.085157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.085157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.085157 (E_RNA)
where:
Base-Base interactions energy: -146.080
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.028
local terms energy: -81.977934
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -229.417987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.417987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.417987 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -77.719
Base-Backbone interact. energy: -0.000
local terms energy: -78.504511
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -187.112833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.112833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.112833 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -51.336
Base-Backbone interact. energy: 0.858
local terms energy: -68.534461
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -186.779594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.779594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.779594 (E_RNA)
where:
Base-Base interactions energy: -115.188
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.091
local terms energy: -71.500983
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -175.421308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.421308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.421308 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.257
local terms energy: -63.864258
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.810
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: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -90.528683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.528683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.528683 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -26.114
Base-Backbone interact. energy: -0.174
local terms energy: -54.723613
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -85.146582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.146582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.146582 (E_RNA)
where:
Base-Base interactions energy: -40.021
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.362
local terms energy: -44.763761
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -84.142336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142336 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -31.877
Base-Backbone interact. energy: -0.723
local terms energy: -52.285047
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -6.136
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: 144
Temperature: 1.350000
Total energy: -91.138662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138662 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -22.451
Base-Backbone interact. energy: -0.092
local terms energy: -56.674555
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -231.779440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.779440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.779440 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.289
local terms energy: -79.577751
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -229.266923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.266923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.266923 (E_RNA)
where:
Base-Base interactions energy: -150.308
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.009
local terms energy: -78.949729
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -223.208385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208385 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.107
local terms energy: -79.828383
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -180.988313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.988313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.988313 (E_RNA)
where:
Base-Base interactions energy: -120.622
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.003
local terms energy: -60.362676
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -186.156119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156119 (E_RNA)
where:
Base-Base interactions energy: -122.979
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.161
local terms energy: -63.015925
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.648
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: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -173.556189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.556189 (E_RNA)
where:
Base-Base interactions energy: -105.813
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.139
local terms energy: -67.604282
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -8.169
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: 145
Temperature: 1.200000
Total energy: -92.554104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554104 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -21.715
Base-Backbone interact. energy: 0.164
local terms energy: -48.635240
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.248
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: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -83.437168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.437168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.437168 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.040
local terms energy: -51.532439
where:
bonds (distance) C4'-P energy: -7.174
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -75.503106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.503106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.503106 (E_RNA)
where:
Base-Base interactions energy: -26.475
where: short stacking energy: -23.659
Base-Backbone interact. energy: -1.223
local terms energy: -47.805203
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: 0.928
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -87.381561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381561 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.053
local terms energy: -55.123787
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -225.018495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.018495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.018495 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.000
local terms energy: -79.048360
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -222.622578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.622578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.622578 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.106
local terms energy: -78.386036
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -214.829573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.829573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.829573 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -64.746
Base-Backbone interact. energy: -0.197
local terms energy: -74.436990
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.138
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -192.769695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.769695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.769695 (E_RNA)
where:
Base-Base interactions energy: -124.709
where: short stacking energy: -61.307
Base-Backbone interact. energy: 1.714
local terms energy: -69.773859
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -191.078619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078619 (E_RNA)
where:
Base-Base interactions energy: -134.223
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.335
local terms energy: -56.520163
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -169.741327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.741327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.741327 (E_RNA)
where:
Base-Base interactions energy: -103.603
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.197
local terms energy: -65.941296
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -9.615
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: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -89.211607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.211607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.211607 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.028
local terms energy: -52.786831
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -86.247150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.247150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.247150 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -28.609
Base-Backbone interact. energy: 1.041
local terms energy: -51.272838
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -6.328
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: 146
Temperature: 1.300000
Total energy: -94.904932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.904932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.904932 (E_RNA)
where:
Base-Base interactions energy: -42.029
where: short stacking energy: -22.523
Base-Backbone interact. energy: -1.325
local terms energy: -51.550478
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -85.204113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.204113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.204113 (E_RNA)
where:
Base-Base interactions energy: -36.114
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.169
local terms energy: -48.921453
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -4.939
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: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -230.264630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.264630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.264630 (E_RNA)
where:
Base-Base interactions energy: -149.108
where: short stacking energy: -70.300
Base-Backbone interact. energy: -0.146
local terms energy: -81.010179
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -232.794340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.794340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.794340 (E_RNA)
where:
Base-Base interactions energy: -150.679
where: short stacking energy: -69.128
Base-Backbone interact. energy: 1.266
local terms energy: -83.381751
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -222.961861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.961861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.961861 (E_RNA)
where:
Base-Base interactions energy: -140.877
where: short stacking energy: -69.710
Base-Backbone interact. energy: 0.074
local terms energy: -82.158865
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -23.142
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -195.256760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.256760 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -55.433
Base-Backbone interact. energy: -0.464
local terms energy: -59.846344
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -8.621
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: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -189.796683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.796683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.796683 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -64.364
Base-Backbone interact. energy: 1.150
local terms energy: -68.574994
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -164.810418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.810418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.810418 (E_RNA)
where:
Base-Base interactions energy: -109.005
where: short stacking energy: -40.918
Base-Backbone interact. energy: 0.969
local terms energy: -56.774830
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -10.672
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -97.431779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.431779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.431779 (E_RNA)
where:
Base-Base interactions energy: -40.732
where: short stacking energy: -40.732
Base-Backbone interact. energy: 0.444
local terms energy: -57.143492
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -7.718
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -12.382
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: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -80.382557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382557 (E_RNA)
where:
Base-Base interactions energy: -38.884
where: short stacking energy: -25.783
Base-Backbone interact. energy: 0.741
local terms energy: -42.239617
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -87.989055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.989055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.989055 (E_RNA)
where:
Base-Base interactions energy: -44.110
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.118
local terms energy: -43.760948
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -8.380
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -75.945060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.945060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.945060 (E_RNA)
where:
Base-Base interactions energy: -29.064
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.066
local terms energy: -46.815345
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -233.271784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.271784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.271784 (E_RNA)
where:
Base-Base interactions energy: -152.835
where: short stacking energy: -68.784
Base-Backbone interact. energy: 0.616
local terms energy: -81.053230
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -221.165153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.165153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.165153 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.100
local terms energy: -71.319274
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -221.629980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629980 (E_RNA)
where:
Base-Base interactions energy: -145.223
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.103
local terms energy: -76.303723
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -20.434
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -209.227692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.227692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.227692 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -57.890
Base-Backbone interact. energy: -1.492
local terms energy: -64.130943
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -198.504231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.504231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.504231 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.080
local terms energy: -65.114183
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -180.517590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.517590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.517590 (E_RNA)
where:
Base-Base interactions energy: -124.146
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.651
local terms energy: -55.720814
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -5.735
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: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -91.547463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.547463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.547463 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.247
local terms energy: -57.481375
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -88.864523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.864523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.864523 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -21.761
Base-Backbone interact. energy: -0.244
local terms energy: -46.408575
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -10.219
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: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -82.388524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.388524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.388524 (E_RNA)
where:
Base-Base interactions energy: -35.741
where: short stacking energy: -24.578
Base-Backbone interact. energy: -0.157
local terms energy: -46.489747
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -4.675
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: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -77.183658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183658 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -25.536
Base-Backbone interact. energy: 0.396
local terms energy: -43.637056
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -229.079340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.079340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.079340 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.091
local terms energy: -80.676527
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -224.865808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.865808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.865808 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -76.199
Base-Backbone interact. energy: 0.450
local terms energy: -79.826307
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -18.629
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -219.364547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364547 (E_RNA)
where:
Base-Base interactions energy: -143.442
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.002
local terms energy: -75.919793
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -187.779614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.779614 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.302
local terms energy: -63.973507
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -197.693149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.693149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.693149 (E_RNA)
where:
Base-Base interactions energy: -134.127
where: short stacking energy: -51.378
Base-Backbone interact. energy: -0.144
local terms energy: -63.422583
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.668
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: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -100.887139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.887139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.887139 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.010
local terms energy: -61.704513
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -161.891533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.891533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.891533 (E_RNA)
where:
Base-Base interactions energy: -100.163
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.080
local terms energy: -61.648094
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -10.326
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: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -113.375817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.375817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.375817 (E_RNA)
where:
Base-Base interactions energy: -63.347
where: short stacking energy: -40.463
Base-Backbone interact. energy: 1.030
local terms energy: -51.058661
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -82.421429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.421429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.421429 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -26.316
Base-Backbone interact. energy: 0.881
local terms energy: -45.077840
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -86.037847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037847 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.102
local terms energy: -48.059632
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -222.243716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.243716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.243716 (E_RNA)
where:
Base-Base interactions energy: -153.500
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.006
local terms energy: -68.737133
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -231.520332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.520332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.520332 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.123
local terms energy: -79.311101
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -217.980275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.980275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.980275 (E_RNA)
where:
Base-Base interactions energy: -142.904
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.100
local terms energy: -74.976409
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -189.772897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.772897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.772897 (E_RNA)
where:
Base-Base interactions energy: -127.084
where: short stacking energy: -54.887
Base-Backbone interact. energy: -1.165
local terms energy: -61.524154
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -206.731281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.731281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.731281 (E_RNA)
where:
Base-Base interactions energy: -149.677
where: short stacking energy: -53.895
Base-Backbone interact. energy: 2.471
local terms energy: -59.524952
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -125.969862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.969862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.969862 (E_RNA)
where:
Base-Base interactions energy: -64.993
where: short stacking energy: -46.854
Base-Backbone interact. energy: -0.045
local terms energy: -60.931744
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -9.482
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -169.693637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.693637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.693637 (E_RNA)
where:
Base-Base interactions energy: -111.582
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.143
local terms energy: -57.968675
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -8.210
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: 150
Temperature: 1.250000
Total energy: -85.785092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.785092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.785092 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -20.359
Base-Backbone interact. energy: -0.351
local terms energy: -39.027901
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -88.814140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814140 (E_RNA)
where:
Base-Base interactions energy: -29.205
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.149
local terms energy: -59.459372
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.948932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.948932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.948932 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -16.861
Base-Backbone interact. energy: -0.549
local terms energy: -44.276845
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: 2.975
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: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -227.850990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.850990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.850990 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -66.903
Base-Backbone interact. energy: -0.144
local terms energy: -82.693633
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -20.348
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: 151
Temperature: 0.950000
Total energy: -227.103421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.103421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.103421 (E_RNA)
where:
Base-Base interactions energy: -148.973
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.001
local terms energy: -78.129475
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -210.384138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.384138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.384138 (E_RNA)
where:
Base-Base interactions energy: -135.000
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.034
local terms energy: -75.350254
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -210.600131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.600131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.600131 (E_RNA)
where:
Base-Base interactions energy: -141.832
where: short stacking energy: -56.937
Base-Backbone interact. energy: 0.114
local terms energy: -68.881273
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -182.227936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.227936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.227936 (E_RNA)
where:
Base-Base interactions energy: -120.398
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.012
local terms energy: -61.818339
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.147
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: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -177.926790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.926790 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.104
local terms energy: -64.055970
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -79.642335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642335 (E_RNA)
where:
Base-Base interactions energy: -36.692
where: short stacking energy: -32.351
Base-Backbone interact. energy: -0.116
local terms energy: -42.834005
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -0.841
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -88.237705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.237705 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -40.074
Base-Backbone interact. energy: 0.794
local terms energy: -47.606270
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -6.563
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: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -80.544520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.544520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.544520 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.024
local terms energy: -55.233636
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.886
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: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -83.024280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024280 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.078
local terms energy: -38.592081
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -6.680
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -231.542909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.542909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.542909 (E_RNA)
where:
Base-Base interactions energy: -152.896
where: short stacking energy: -79.922
Base-Backbone interact. energy: -0.002
local terms energy: -78.644904
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -222.400670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.400670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.400670 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -75.923
Base-Backbone interact. energy: -0.003
local terms energy: -76.435985
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -193.293643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.293643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.293643 (E_RNA)
where:
Base-Base interactions energy: -128.378
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.264
local terms energy: -64.651503
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -12.177
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: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -213.037503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.037503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.037503 (E_RNA)
where:
Base-Base interactions energy: -140.551
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.316
local terms energy: -72.170987
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -177.358476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.358476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.358476 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.074
local terms energy: -64.134899
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.341
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -181.055347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.055347 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -55.646
Base-Backbone interact. energy: -0.052
local terms energy: -60.464497
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -88.665942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.665942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.665942 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.133
local terms energy: -51.161857
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: 0.012
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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -87.507191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.507191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.507191 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -26.464
Base-Backbone interact. energy: 0.141
local terms energy: -60.694321
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -4.675
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: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -88.102286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.102286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.102286 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.072
local terms energy: -50.468470
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -9.685
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: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -86.002746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002746 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.785
Base-Backbone interact. energy: 0.633
local terms energy: -57.851354
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -229.261368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.261368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.261368 (E_RNA)
where:
Base-Base interactions energy: -152.687
where: short stacking energy: -74.879
Base-Backbone interact. energy: -0.003
local terms energy: -76.571785
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -224.570399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.570399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.570399 (E_RNA)
where:
Base-Base interactions energy: -152.350
where: short stacking energy: -72.176
Base-Backbone interact. energy: 0.187
local terms energy: -72.408148
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -193.298640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.298640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.298640 (E_RNA)
where:
Base-Base interactions energy: -124.349
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.581
local terms energy: -68.368936
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -12.273
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: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -191.525716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.525716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.525716 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.084
local terms energy: -70.098586
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -209.606459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.606459 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.218
local terms energy: -72.291073
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.366
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -187.240184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.240184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.240184 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -59.092
Base-Backbone interact. energy: -2.635
local terms energy: -56.039390
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -93.167715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.167715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.167715 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -36.540
Base-Backbone interact. energy: 2.182
local terms energy: -52.349604
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.128
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: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -83.724400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724400 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.097
local terms energy: -55.907564
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -4.791
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: 153
Temperature: 1.300000
Total energy: -78.963976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.963976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.963976 (E_RNA)
where:
Base-Base interactions energy: -25.156
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.420
local terms energy: -53.387194
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -78.259203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259203 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -23.140
Base-Backbone interact. energy: -0.175
local terms energy: -44.703464
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -8.425
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: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -225.914181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.914181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.914181 (E_RNA)
where:
Base-Base interactions energy: -146.545
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.000
local terms energy: -79.368667
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -224.711101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.711101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.711101 (E_RNA)
where:
Base-Base interactions energy: -142.955
where: short stacking energy: -69.048
Base-Backbone interact. energy: -0.001
local terms energy: -81.756054
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -197.505581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.505581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.505581 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.002
local terms energy: -70.315542
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -175.432995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432995 (E_RNA)
where:
Base-Base interactions energy: -112.510
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.112
local terms energy: -62.810889
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -194.343683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.343683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.343683 (E_RNA)
where:
Base-Base interactions energy: -131.685
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.670
local terms energy: -61.988234
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -200.721408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.721408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.721408 (E_RNA)
where:
Base-Base interactions energy: -133.735
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.098
local terms energy: -66.887573
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -88.253638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.253638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.253638 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.019
local terms energy: -53.178494
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -4.572
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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -82.239982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239982 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -21.350
Base-Backbone interact. energy: -0.592
local terms energy: -48.787042
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -79.981162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.981162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.981162 (E_RNA)
where:
Base-Base interactions energy: -25.143
where: short stacking energy: -21.826
Base-Backbone interact. energy: 0.596
local terms energy: -55.434388
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.678
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: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.312304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.312304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.312304 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -17.071
Base-Backbone interact. energy: -0.110
local terms energy: -44.414859
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -0.262
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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -228.376385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.376385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.376385 (E_RNA)
where:
Base-Base interactions energy: -149.998
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.042
local terms energy: -78.336101
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -21.180
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: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -219.207169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207169 (E_RNA)
where:
Base-Base interactions energy: -142.911
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.034
local terms energy: -76.262447
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -202.180147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.180147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.180147 (E_RNA)
where:
Base-Base interactions energy: -126.412
where: short stacking energy: -67.077
Base-Backbone interact. energy: -0.054
local terms energy: -75.714493
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.805
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -187.035191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.035191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.035191 (E_RNA)
where:
Base-Base interactions energy: -121.808
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.485
local terms energy: -64.741934
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -183.023689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.023689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023689 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.123
local terms energy: -70.707193
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -198.142029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.142029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.142029 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.003
local terms energy: -64.334484
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -17.787
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -97.176748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.176748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.176748 (E_RNA)
where:
Base-Base interactions energy: -49.999
where: short stacking energy: -32.698
Base-Backbone interact. energy: -0.205
local terms energy: -46.973104
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -91.069880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.069880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.069880 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -20.996
Base-Backbone interact. energy: -0.200
local terms energy: -57.298039
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.491
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: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -94.334123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.334123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.334123 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -27.939
Base-Backbone interact. energy: -0.065
local terms energy: -47.752445
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -4.078
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -81.568093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.568093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.568093 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -29.031
Base-Backbone interact. energy: 0.864
local terms energy: -47.319399
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -227.881435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.881435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.881435 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.287
local terms energy: -74.724531
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -225.031659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031659 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -81.138
Base-Backbone interact. energy: -0.402
local terms energy: -75.471838
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -193.464542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464542 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -59.487
Base-Backbone interact. energy: 0.099
local terms energy: -70.139513
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.510
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: 156
Temperature: 1.050000
Total energy: -191.283246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.283246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.283246 (E_RNA)
where:
Base-Base interactions energy: -119.759
where: short stacking energy: -53.043
Base-Backbone interact. energy: -0.084
local terms energy: -71.439320
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -209.487103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.487103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.487103 (E_RNA)
where:
Base-Base interactions energy: -137.469
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.056
local terms energy: -71.962079
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -182.053674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.053674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.053674 (E_RNA)
where:
Base-Base interactions energy: -120.978
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.043
local terms energy: -61.032491
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -9.901
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: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -96.656611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.656611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.656611 (E_RNA)
where:
Base-Base interactions energy: -41.917
where: short stacking energy: -41.917
Base-Backbone interact. energy: 0.892
local terms energy: -55.632350
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -9.982
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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -87.752496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752496 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -27.805
Base-Backbone interact. energy: -0.451
local terms energy: -54.405163
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -11.159
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: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -74.181161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.181161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.181161 (E_RNA)
where:
Base-Base interactions energy: -27.601
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.200
local terms energy: -46.380553
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -73.641138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.641138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.641138 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -15.022
Base-Backbone interact. energy: -1.254
local terms energy: -39.251354
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: 4.139
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: 157
Temperature: 0.900000
Total energy: -227.452185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.452185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.452185 (E_RNA)
where:
Base-Base interactions energy: -152.454
where: short stacking energy: -77.683
Base-Backbone interact. energy: -0.033
local terms energy: -74.965386
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -220.386047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.386047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.386047 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.009
local terms energy: -78.007777
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -22.361
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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -194.297064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.297064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.297064 (E_RNA)
where:
Base-Base interactions energy: -121.562
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.239
local terms energy: -72.495583
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -219.805425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.805425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.805425 (E_RNA)
where:
Base-Base interactions energy: -141.547
where: short stacking energy: -64.822
Base-Backbone interact. energy: -0.005
local terms energy: -78.253349
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -184.507317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.507317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.507317 (E_RNA)
where:
Base-Base interactions energy: -111.777
where: short stacking energy: -52.184
Base-Backbone interact. energy: 0.062
local terms energy: -72.792678
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -177.704412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.704412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.704412 (E_RNA)
where:
Base-Base interactions energy: -113.303
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.460
local terms energy: -63.941594
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -95.514770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.514770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.514770 (E_RNA)
where:
Base-Base interactions energy: -40.486
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.456
local terms energy: -54.572541
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -89.175668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.175668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.175668 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.269
local terms energy: -51.243158
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -5.316
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: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -75.851733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.851733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.851733 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -23.583
Base-Backbone interact. energy: -0.375
local terms energy: -48.522061
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -92.021863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.021863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.021863 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -30.053
Base-Backbone interact. energy: -0.192
local terms energy: -62.386802
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -226.404997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.404997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.404997 (E_RNA)
where:
Base-Base interactions energy: -145.925
where: short stacking energy: -73.463
Base-Backbone interact. energy: 0.897
local terms energy: -81.377455
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -23.050
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: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -225.113279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.113279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.113279 (E_RNA)
where:
Base-Base interactions energy: -151.375
where: short stacking energy: -69.436
Base-Backbone interact. energy: -0.054
local terms energy: -73.683532
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -223.075180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.075180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.075180 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.038
local terms energy: -81.556861
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -184.423448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.423448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.423448 (E_RNA)
where:
Base-Base interactions energy: -116.721
where: short stacking energy: -54.311
Base-Backbone interact. energy: -0.003
local terms energy: -67.699563
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -180.558537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.558537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.558537 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -49.633
Base-Backbone interact. energy: -0.053
local terms energy: -67.968244
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -177.251406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.251406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.251406 (E_RNA)
where:
Base-Base interactions energy: -117.972
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.146
local terms energy: -59.133444
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -119.744444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.744444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.744444 (E_RNA)
where:
Base-Base interactions energy: -68.449
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.275
local terms energy: -51.020269
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -8.779
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: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -86.268424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268424 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -24.484
Base-Backbone interact. energy: -0.152
local terms energy: -48.841948
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -3.209
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: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -81.268878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.268878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.268878 (E_RNA)
where:
Base-Base interactions energy: -34.850
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.194
local terms energy: -46.224929
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -89.277944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.277944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.277944 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.005
local terms energy: -55.789413
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -227.002967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002967 (E_RNA)
where:
Base-Base interactions energy: -146.938
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.297
local terms energy: -79.768332
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -233.817977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.817977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.817977 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.042
local terms energy: -75.662997
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -219.909361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.909361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.909361 (E_RNA)
where:
Base-Base interactions energy: -147.471
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.075
local terms energy: -72.363383
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -192.065154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.065154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.065154 (E_RNA)
where:
Base-Base interactions energy: -117.889
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.770
local terms energy: -73.405824
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -188.037732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.037732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.037732 (E_RNA)
where:
Base-Base interactions energy: -110.621
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.002
local terms energy: -77.414226
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -16.742
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -181.971308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.971308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.971308 (E_RNA)
where:
Base-Base interactions energy: -122.473
where: short stacking energy: -59.245
Base-Backbone interact. energy: 0.844
local terms energy: -60.342025
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -136.696833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.696833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.696833 (E_RNA)
where:
Base-Base interactions energy: -79.482
where: short stacking energy: -40.443
Base-Backbone interact. energy: 0.164
local terms energy: -57.379143
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -86.686602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.686602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.686602 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.220
local terms energy: -42.574081
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -80.686572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.686572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.686572 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.036
local terms energy: -46.029000
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -2.153
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -89.626574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.626574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.626574 (E_RNA)
where:
Base-Base interactions energy: -37.196
where: short stacking energy: -34.925
Base-Backbone interact. energy: 0.117
local terms energy: -52.547809
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -223.891771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.891771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.891771 (E_RNA)
where:
Base-Base interactions energy: -149.691
where: short stacking energy: -69.983
Base-Backbone interact. energy: -0.001
local terms energy: -74.198975
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -21.630
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: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -234.558568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.558568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.558568 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -75.203
Base-Backbone interact. energy: -0.618
local terms energy: -80.345870
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -229.512693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.512693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.512693 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -77.205
Base-Backbone interact. energy: -0.001
local terms energy: -75.407045
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -196.985562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.985562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.985562 (E_RNA)
where:
Base-Base interactions energy: -126.206
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.080
local terms energy: -70.699861
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -182.094461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.094461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.094461 (E_RNA)
where:
Base-Base interactions energy: -112.193
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.004
local terms energy: -69.897505
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -177.702463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.702463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.702463 (E_RNA)
where:
Base-Base interactions energy: -117.016
where: short stacking energy: -50.050
Base-Backbone interact. energy: -0.084
local terms energy: -60.603132
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.466
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -89.374510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.374510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.374510 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -23.505
Base-Backbone interact. energy: -0.050
local terms energy: -53.973802
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -1.100
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: 160
Temperature: 1.250000
Total energy: -133.751265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.751265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.751265 (E_RNA)
where:
Base-Base interactions energy: -85.512
where: short stacking energy: -36.911
Base-Backbone interact. energy: -0.300
local terms energy: -47.939025
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.345
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: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -93.763975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.763975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.763975 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.264
local terms energy: -56.056741
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -89.694457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694457 (E_RNA)
where:
Base-Base interactions energy: -32.026
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.107
local terms energy: -57.561822
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -7.515
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: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -230.914504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.914504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.914504 (E_RNA)
where:
Base-Base interactions energy: -155.852
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.001
local terms energy: -75.062100
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -19.851
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -228.726887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.726887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.726887 (E_RNA)
where:
Base-Base interactions energy: -152.920
where: short stacking energy: -72.062
Base-Backbone interact. energy: -0.017
local terms energy: -75.790050
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -22.905
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: 161
Temperature: 1.000000
Total energy: -226.813273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813273 (E_RNA)
where:
Base-Base interactions energy: -149.401
where: short stacking energy: -75.373
Base-Backbone interact. energy: -0.153
local terms energy: -77.259316
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -198.364950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.364950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364950 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -55.584
Base-Backbone interact. energy: -0.016
local terms energy: -60.666490
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -181.266453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.266453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.266453 (E_RNA)
where:
Base-Base interactions energy: -118.629
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.079
local terms energy: -62.557973
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -186.182037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.182037 (E_RNA)
where:
Base-Base interactions energy: -118.992
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.047
local terms energy: -67.143632
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.332
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: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -92.475610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475610 (E_RNA)
where:
Base-Base interactions energy: -41.450
where: short stacking energy: -41.450
Base-Backbone interact. energy: -0.145
local terms energy: -50.880635
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -7.955
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: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -128.462821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.462821 (E_RNA)
where:
Base-Base interactions energy: -74.823
where: short stacking energy: -39.546
Base-Backbone interact. energy: -0.004
local terms energy: -53.635933
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.528
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -88.959204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959204 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.575
local terms energy: -46.526908
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.600908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.600908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.600908 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -29.313
Base-Backbone interact. energy: -0.125
local terms energy: -45.492079
where:
bonds (distance) C4'-P energy: -4.748
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -229.775347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.775347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.775347 (E_RNA)
where:
Base-Base interactions energy: -155.121
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.379
local terms energy: -74.275730
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -20.967
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: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -224.642115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.642115 (E_RNA)
where:
Base-Base interactions energy: -151.277
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.434
local terms energy: -72.930750
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.779
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -212.552164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.552164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.552164 (E_RNA)
where:
Base-Base interactions energy: -143.418
where: short stacking energy: -56.652
Base-Backbone interact. energy: -2.255
local terms energy: -66.879626
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -219.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.009675 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.665
local terms energy: -75.166298
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -179.254601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.254601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.254601 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -39.877
Base-Backbone interact. energy: 0.068
local terms energy: -51.923329
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -182.673381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.673381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.673381 (E_RNA)
where:
Base-Base interactions energy: -125.619
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.011
local terms energy: -57.043885
where:
bonds (distance) C4'-P energy: -8.394
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -4.526
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: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -104.290049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.290049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.290049 (E_RNA)
where:
Base-Base interactions energy: -44.034
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.151
local terms energy: -60.104453
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -99.190670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.190670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.190670 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -35.950
Base-Backbone interact. energy: 0.175
local terms energy: -47.758123
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: 0.947
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: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -86.307456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307456 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.211
local terms energy: -57.075564
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.042071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.042071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.042071 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -24.502
Base-Backbone interact. energy: -0.139
local terms energy: -52.580461
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -235.140439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.140439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.140439 (E_RNA)
where:
Base-Base interactions energy: -156.989
where: short stacking energy: -78.422
Base-Backbone interact. energy: 1.576
local terms energy: -79.727193
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -206.253136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.253136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.253136 (E_RNA)
where:
Base-Base interactions energy: -132.533
where: short stacking energy: -68.381
Base-Backbone interact. energy: -0.003
local terms energy: -73.717706
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -215.856730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.856730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856730 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -71.483
Base-Backbone interact. energy: -0.001
local terms energy: -77.884422
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -188.602778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.602778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.602778 (E_RNA)
where:
Base-Base interactions energy: -125.134
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.123
local terms energy: -63.345902
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -181.584018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.584018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.584018 (E_RNA)
where:
Base-Base interactions energy: -120.099
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.192
local terms energy: -61.292926
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -185.834064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.834064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.834064 (E_RNA)
where:
Base-Base interactions energy: -114.811
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.104
local terms energy: -70.918777
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -97.007903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.007903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.007903 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.267
local terms energy: -57.507318
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -90.970556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970556 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -23.239
Base-Backbone interact. energy: -0.723
local terms energy: -46.292359
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -3.873
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: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -77.932592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932592 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.288
local terms energy: -46.433804
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -76.057922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.057922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.057922 (E_RNA)
where:
Base-Base interactions energy: -25.430
where: short stacking energy: -22.156
Base-Backbone interact. energy: -0.025
local terms energy: -50.603406
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -4.224
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -2.227
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: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -228.823836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.823836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.823836 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.020
local terms energy: -76.208337
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -213.865675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.865675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.865675 (E_RNA)
where:
Base-Base interactions energy: -138.630
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.001
local terms energy: -75.234778
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -222.743539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.743539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.743539 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.013
local terms energy: -75.372004
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -190.244566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244566 (E_RNA)
where:
Base-Base interactions energy: -141.428
where: short stacking energy: -54.774
Base-Backbone interact. energy: -0.150
local terms energy: -48.666834
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -186.250455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.250455 (E_RNA)
where:
Base-Base interactions energy: -116.402
where: short stacking energy: -55.659
Base-Backbone interact. energy: 0.436
local terms energy: -70.284238
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -20.388
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: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -182.567880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567880 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.039
local terms energy: -61.179751
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -4.388
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: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -107.452235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.452235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.452235 (E_RNA)
where:
Base-Base interactions energy: -54.926
where: short stacking energy: -34.596
Base-Backbone interact. energy: -0.295
local terms energy: -52.230586
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -96.227429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227429 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -28.870
Base-Backbone interact. energy: -0.134
local terms energy: -61.725227
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -79.526923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.526923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.526923 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.175
local terms energy: -43.853190
where:
bonds (distance) C4'-P energy: -7.499
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -75.492294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.492294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.492294 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -28.561
Base-Backbone interact. energy: 1.640
local terms energy: -48.570769
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -234.483923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.483923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483923 (E_RNA)
where:
Base-Base interactions energy: -154.413
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.239
local terms energy: -79.831275
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -22.192
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -211.027009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.027009 (E_RNA)
where:
Base-Base interactions energy: -135.949
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.171
local terms energy: -74.907508
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -191.913638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.913638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.913638 (E_RNA)
where:
Base-Base interactions energy: -123.840
where: short stacking energy: -55.194
Base-Backbone interact. energy: -0.130
local terms energy: -67.943037
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -189.115424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.115424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.115424 (E_RNA)
where:
Base-Base interactions energy: -130.441
where: short stacking energy: -53.239
Base-Backbone interact. energy: -0.170
local terms energy: -58.504981
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -185.328397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.328397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.328397 (E_RNA)
where:
Base-Base interactions energy: -125.968
where: short stacking energy: -51.575
Base-Backbone interact. energy: 0.296
local terms energy: -59.656394
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -200.510493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510493 (E_RNA)
where:
Base-Base interactions energy: -131.675
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.009
local terms energy: -68.826110
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -21.452
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -108.197330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.197330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.197330 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.122
local terms energy: -47.517001
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -123.215747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.215747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.215747 (E_RNA)
where:
Base-Base interactions energy: -73.043
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.167
local terms energy: -50.005240
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -3.969
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: 165
Temperature: 1.300000
Total energy: -88.449485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.449485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.449485 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -40.922
Base-Backbone interact. energy: -0.030
local terms energy: -44.668737
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -74.340300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.340300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.340300 (E_RNA)
where:
Base-Base interactions energy: -22.710
where: short stacking energy: -19.033
Base-Backbone interact. energy: -0.889
local terms energy: -50.741558
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -233.615534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.615534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.615534 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -73.469
Base-Backbone interact. energy: -0.010
local terms energy: -76.552686
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -19.582
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: 166
Temperature: 0.950000
Total energy: -225.624179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.624179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.624179 (E_RNA)
where:
Base-Base interactions energy: -150.279
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.008
local terms energy: -75.336806
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -18.937
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: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -201.766334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.766334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.766334 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -58.626
Base-Backbone interact. energy: -1.350
local terms energy: -76.306723
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -193.659635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659635 (E_RNA)
where:
Base-Base interactions energy: -124.698
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.006
local terms energy: -68.955900
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -193.911675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.911675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.911675 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -64.330
Base-Backbone interact. energy: 1.204
local terms energy: -71.507372
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -15.540
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: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -159.220607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.220607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.220607 (E_RNA)
where:
Base-Base interactions energy: -100.728
where: short stacking energy: -42.014
Base-Backbone interact. energy: -0.127
local terms energy: -58.365370
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -4.898
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: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -131.342262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.342262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.342262 (E_RNA)
where:
Base-Base interactions energy: -82.721
where: short stacking energy: -54.146
Base-Backbone interact. energy: -0.003
local terms energy: -48.618718
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -85.568046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.568046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.568046 (E_RNA)
where:
Base-Base interactions energy: -47.168
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.283
local terms energy: -38.116973
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -6.014
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: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -85.008022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.008022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.008022 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.229
local terms energy: -48.965309
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -79.558064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558064 (E_RNA)
where:
Base-Base interactions energy: -26.537
where: short stacking energy: -22.514
Base-Backbone interact. energy: 0.377
local terms energy: -53.397977
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -3.514
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -232.724910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.724910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724910 (E_RNA)
where:
Base-Base interactions energy: -151.827
where: short stacking energy: -76.083
Base-Backbone interact. energy: -0.173
local terms energy: -80.724184
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -229.699759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.699759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.699759 (E_RNA)
where:
Base-Base interactions energy: -153.630
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.292
local terms energy: -75.777915
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -197.179472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.179472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.179472 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.012
local terms energy: -70.294911
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.086
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: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -212.345777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.345777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.345777 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.491
local terms energy: -80.370758
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -176.951457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.951457 (E_RNA)
where:
Base-Base interactions energy: -113.937
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.174
local terms energy: -62.841152
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -9.714
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -125.561008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.561008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.561008 (E_RNA)
where:
Base-Base interactions energy: -75.804
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.083
local terms energy: -49.674854
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -7.292
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: 167
Temperature: 1.200000
Total energy: -107.917196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.917196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.917196 (E_RNA)
where:
Base-Base interactions energy: -53.681
where: short stacking energy: -37.970
Base-Backbone interact. energy: -0.105
local terms energy: -54.131527
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -86.489068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489068 (E_RNA)
where:
Base-Base interactions energy: -43.997
where: short stacking energy: -40.766
Base-Backbone interact. energy: 0.396
local terms energy: -42.888251
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -5.665
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -89.646190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646190 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -35.863
Base-Backbone interact. energy: -1.541
local terms energy: -42.116374
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -75.251556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.251556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.251556 (E_RNA)
where:
Base-Base interactions energy: -22.168
where: short stacking energy: -22.168
Base-Backbone interact. energy: -0.291
local terms energy: -52.792259
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -231.111622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.111622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.111622 (E_RNA)
where:
Base-Base interactions energy: -158.936
where: short stacking energy: -78.761
Base-Backbone interact. energy: -0.078
local terms energy: -72.097632
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -225.681335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.681335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.681335 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.008
local terms energy: -80.371810
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -228.365684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.365684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.365684 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -74.454
Base-Backbone interact. energy: -0.004
local terms energy: -76.210542
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -186.219936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.219936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.219936 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.010
local terms energy: -67.118592
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -180.692352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.692352 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.007
local terms energy: -65.112041
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -128.558790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.558790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.558790 (E_RNA)
where:
Base-Base interactions energy: -69.077
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.092
local terms energy: -59.390218
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -7.952
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -83.482800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.482800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.482800 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.563
local terms energy: -51.043211
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -83.596129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596129 (E_RNA)
where:
Base-Base interactions energy: -25.894
where: short stacking energy: -21.203
Base-Backbone interact. energy: -0.093
local terms energy: -57.609748
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -96.953278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953278 (E_RNA)
where:
Base-Base interactions energy: -51.433
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.052
local terms energy: -45.468916
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -86.241542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.241542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.241542 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -31.863
Base-Backbone interact. energy: -1.024
local terms energy: -50.679106
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -4.651
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: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -229.147591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.147591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.147591 (E_RNA)
where:
Base-Base interactions energy: -146.885
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.281
local terms energy: -81.981820
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -21.717
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: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -225.589169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.589169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.589169 (E_RNA)
where:
Base-Base interactions energy: -150.136
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.001
local terms energy: -75.451725
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -223.661876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.661876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.661876 (E_RNA)
where:
Base-Base interactions energy: -143.278
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.000
local terms energy: -80.383222
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -190.501160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.501160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.501160 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.001
local terms energy: -66.826451
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -181.420395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.420395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.420395 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -50.117
Base-Backbone interact. energy: -0.196
local terms energy: -63.874773
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -10.951
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: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -132.893622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.893622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.893622 (E_RNA)
where:
Base-Base interactions energy: -75.195
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.250
local terms energy: -57.448764
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -96.727853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.727853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.727853 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.016
local terms energy: -58.949008
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -90.623084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.623084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.623084 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -31.053
Base-Backbone interact. energy: 0.856
local terms energy: -60.284660
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -75.819831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.819831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.819831 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.019
local terms energy: -48.519686
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -3.044
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -81.177909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.177909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.177909 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -21.256
Base-Backbone interact. energy: -1.643
local terms energy: -44.102146
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -3.959
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: 170
Temperature: 0.900000
Total energy: -231.364373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.364373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.364373 (E_RNA)
where:
Base-Base interactions energy: -151.837
where: short stacking energy: -75.285
Base-Backbone interact. energy: -0.001
local terms energy: -79.526349
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -232.319982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.319982 (E_RNA)
where:
Base-Base interactions energy: -155.161
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.039
local terms energy: -77.119805
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -219.964409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.964409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.964409 (E_RNA)
where:
Base-Base interactions energy: -140.172
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.128
local terms energy: -79.664985
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -19.564
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: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -185.018964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.018964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.018964 (E_RNA)
where:
Base-Base interactions energy: -114.258
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.001
local terms energy: -70.760505
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -178.066040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.066040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.066040 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -54.960
Base-Backbone interact. energy: -0.040
local terms energy: -67.603738
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -150.975795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.975795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.975795 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.080
local terms energy: -59.923523
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -86.757483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.757483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.757483 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -21.544
Base-Backbone interact. energy: -0.314
local terms energy: -52.733822
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -86.158521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158521 (E_RNA)
where:
Base-Base interactions energy: -26.868
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.134
local terms energy: -59.155896
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -86.271975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271975 (E_RNA)
where:
Base-Base interactions energy: -25.746
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.120
local terms energy: -60.405806
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -80.506795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506795 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -24.731
Base-Backbone interact. energy: -0.028
local terms energy: -54.446370
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -4.914
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: 171
Temperature: 0.900000
Total energy: -233.217585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.217585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.217585 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.428
local terms energy: -79.659417
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -22.110
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: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -223.441808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.441808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.441808 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.017
local terms energy: -73.111120
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -20.440
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: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -234.415091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.415091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.415091 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.001
local terms energy: -79.225914
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -208.171100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.171100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.171100 (E_RNA)
where:
Base-Base interactions energy: -144.055
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.124
local terms energy: -63.992199
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -4.267
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: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -191.516922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516922 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.001
local terms energy: -66.347921
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -141.459169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.459169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.459169 (E_RNA)
where:
Base-Base interactions energy: -81.380
where: short stacking energy: -47.706
Base-Backbone interact. energy: -0.017
local terms energy: -60.062153
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -117.050507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.050507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.050507 (E_RNA)
where:
Base-Base interactions energy: -59.740
where: short stacking energy: -27.838
Base-Backbone interact. energy: 0.303
local terms energy: -57.613038
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.034
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: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -86.742056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.742056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.742056 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.311
local terms energy: -52.956185
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.572338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.572338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.572338 (E_RNA)
where:
Base-Base interactions energy: -42.843
where: short stacking energy: -18.854
Base-Backbone interact. energy: -0.417
local terms energy: -37.311881
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -10.058
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: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -82.852106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.852106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.852106 (E_RNA)
where:
Base-Base interactions energy: -21.245
where: short stacking energy: -20.182
Base-Backbone interact. energy: -0.523
local terms energy: -61.084768
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -231.330605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.330605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.330605 (E_RNA)
where:
Base-Base interactions energy: -151.889
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.001
local terms energy: -79.440608
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -233.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.081853 (E_RNA)
where:
Base-Base interactions energy: -157.719
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.106
local terms energy: -75.256397
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -211.512926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.512926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.512926 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.056
local terms energy: -73.350689
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -217.566093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566093 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.492
local terms energy: -77.185371
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -20.160
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: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -193.702647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.702647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.702647 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -54.935
Base-Backbone interact. energy: -0.094
local terms energy: -76.387302
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -145.621613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.621613 (E_RNA)
where:
Base-Base interactions energy: -87.279
where: short stacking energy: -43.855
Base-Backbone interact. energy: -0.328
local terms energy: -58.014441
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -87.767400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767400 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -35.836
Base-Backbone interact. energy: 1.017
local terms energy: -46.820371
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -11.367
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: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -86.423120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.423120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.423120 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -31.863
Base-Backbone interact. energy: -0.017
local terms energy: -55.743699
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -80.017376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.017376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.017376 (E_RNA)
where:
Base-Base interactions energy: -21.503
where: short stacking energy: -20.869
Base-Backbone interact. energy: -0.209
local terms energy: -58.305318
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: 1.094
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.000470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.000470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.000470 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.305
local terms energy: -45.564021
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -228.181871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.181871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.181871 (E_RNA)
where:
Base-Base interactions energy: -148.544
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.708
local terms energy: -78.928921
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -225.118508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.118508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.118508 (E_RNA)
where:
Base-Base interactions energy: -148.115
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.126
local terms energy: -76.877090
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -201.058355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058355 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -67.773
Base-Backbone interact. energy: -0.081
local terms energy: -75.813932
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -210.562394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562394 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.044
local terms energy: -72.828543
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -184.225279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.225279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.225279 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -51.906
Base-Backbone interact. energy: -1.062
local terms energy: -66.327348
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -152.720080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.720080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.720080 (E_RNA)
where:
Base-Base interactions energy: -94.736
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.500
local terms energy: -57.483920
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -100.118455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.118455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.118455 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -28.425
Base-Backbone interact. energy: -1.028
local terms energy: -54.372964
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: 0.036
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: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -94.402951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.402951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.402951 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -34.623
Base-Backbone interact. energy: 0.727
local terms energy: -57.025482
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.193
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: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -84.418849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418849 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -27.915
Base-Backbone interact. energy: 0.637
local terms energy: -57.141271
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -101.110857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.110857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.110857 (E_RNA)
where:
Base-Base interactions energy: -50.974
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.896
local terms energy: -49.241031
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -2.184
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: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -227.257087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257087 (E_RNA)
where:
Base-Base interactions energy: -149.967
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.025
local terms energy: -77.264900
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -221.012353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.012353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.012353 (E_RNA)
where:
Base-Base interactions energy: -141.542
where: short stacking energy: -66.563
Base-Backbone interact. energy: 0.244
local terms energy: -79.714916
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -21.240
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -215.806465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.806465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.806465 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.040
local terms energy: -74.815641
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -200.883094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.883094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.883094 (E_RNA)
where:
Base-Base interactions energy: -131.832
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.047
local terms energy: -69.003787
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -14.691
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: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -180.424925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.424925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.424925 (E_RNA)
where:
Base-Base interactions energy: -112.502
where: short stacking energy: -50.082
Base-Backbone interact. energy: -1.165
local terms energy: -66.757979
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -152.971372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.971372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.971372 (E_RNA)
where:
Base-Base interactions energy: -96.664
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.498
local terms energy: -55.809400
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -103.213307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213307 (E_RNA)
where:
Base-Base interactions energy: -52.948
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.139
local terms energy: -50.126637
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -9.737
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: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -111.975064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.975064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.975064 (E_RNA)
where:
Base-Base interactions energy: -57.083
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.207
local terms energy: -54.684118
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -78.362588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.362588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.362588 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.206
local terms energy: -53.531559
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -83.156267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156267 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -27.295
Base-Backbone interact. energy: 3.041
local terms energy: -50.684051
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -4.872
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: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -228.861864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861864 (E_RNA)
where:
Base-Base interactions energy: -148.374
where: short stacking energy: -66.950
Base-Backbone interact. energy: -0.091
local terms energy: -80.396286
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -21.999
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: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -220.952896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.952896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.952896 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.043
local terms energy: -77.404144
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -221.182689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.182689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.182689 (E_RNA)
where:
Base-Base interactions energy: -145.911
where: short stacking energy: -71.230
Base-Backbone interact. energy: -0.033
local terms energy: -75.238465
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -19.819
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -199.816476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.816476 (E_RNA)
where:
Base-Base interactions energy: -129.082
where: short stacking energy: -57.567
Base-Backbone interact. energy: 0.298
local terms energy: -71.032309
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -195.575645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.575645 (E_RNA)
where:
Base-Base interactions energy: -128.691
where: short stacking energy: -53.675
Base-Backbone interact. energy: -1.266
local terms energy: -65.618386
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -133.722881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.722881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.722881 (E_RNA)
where:
Base-Base interactions energy: -81.828
where: short stacking energy: -32.009
Base-Backbone interact. energy: 0.168
local terms energy: -52.062426
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -6.519
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -94.769340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769340 (E_RNA)
where:
Base-Base interactions energy: -46.715
where: short stacking energy: -40.107
Base-Backbone interact. energy: -0.394
local terms energy: -47.660888
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -7.250
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -87.659801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.659801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.659801 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.495
local terms energy: -52.624148
where:
bonds (distance) C4'-P energy: -8.444
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.363605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.363605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.363605 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -31.073
Base-Backbone interact. energy: 0.475
local terms energy: -45.313782
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -7.059
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: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.839621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.839621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.839621 (E_RNA)
where:
Base-Base interactions energy: -40.312
where: short stacking energy: -35.918
Base-Backbone interact. energy: -0.840
local terms energy: -44.686753
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -3.846
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: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -226.625268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.625268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625268 (E_RNA)
where:
Base-Base interactions energy: -141.054
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.000
local terms energy: -85.570474
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -225.081022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.081022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.081022 (E_RNA)
where:
Base-Base interactions energy: -151.784
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.198
local terms energy: -73.098575
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -20.434
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -200.438661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.438661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.438661 (E_RNA)
where:
Base-Base interactions energy: -128.275
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.003
local terms energy: -72.161507
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.522
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: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -210.822122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.822122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.822122 (E_RNA)
where:
Base-Base interactions energy: -139.398
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.001
local terms energy: -71.422642
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -188.435244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.435244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.435244 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -56.007
Base-Backbone interact. energy: 0.532
local terms energy: -63.598489
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -15.117
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -154.954429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.954429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.954429 (E_RNA)
where:
Base-Base interactions energy: -94.682
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.257
local terms energy: -60.016186
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -104.211073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.211073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.211073 (E_RNA)
where:
Base-Base interactions energy: -53.601
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.309
local terms energy: -50.301061
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -99.324757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324757 (E_RNA)
where:
Base-Base interactions energy: -43.567
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.123
local terms energy: -55.635340
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -96.384537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.384537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.384537 (E_RNA)
where:
Base-Base interactions energy: -48.590
where: short stacking energy: -40.169
Base-Backbone interact. energy: 0.508
local terms energy: -48.302550
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -83.465238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.465238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.465238 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.403
local terms energy: -49.133754
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -221.841753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.841753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.841753 (E_RNA)
where:
Base-Base interactions energy: -140.262
where: short stacking energy: -71.012
Base-Backbone interact. energy: -0.003
local terms energy: -81.576289
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -198.093941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093941 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -60.587
Base-Backbone interact. energy: 0.751
local terms energy: -61.672308
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -217.617086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617086 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.163
local terms energy: -74.899400
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.806
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: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -184.253264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.253264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253264 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.001
local terms energy: -70.420023
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.101
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -204.027122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.027122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.027122 (E_RNA)
where:
Base-Base interactions energy: -132.936
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.008
local terms energy: -71.082920
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.912
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: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -127.184665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.184665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.184665 (E_RNA)
where:
Base-Base interactions energy: -72.658
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.989
local terms energy: -53.537490
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -5.129
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -131.636741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.636741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.636741 (E_RNA)
where:
Base-Base interactions energy: -76.571
where: short stacking energy: -43.997
Base-Backbone interact. energy: 0.163
local terms energy: -55.228321
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -115.615292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.615292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.615292 (E_RNA)
where:
Base-Base interactions energy: -59.576
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.279
local terms energy: -55.760778
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -76.774164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.774164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.774164 (E_RNA)
where:
Base-Base interactions energy: -24.457
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.023
local terms energy: -52.294318
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -0.677
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: 177
Temperature: 1.350000
Total energy: -76.658640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.658640 (E_RNA)
where:
Base-Base interactions energy: -29.946
where: short stacking energy: -20.616
Base-Backbone interact. energy: -1.348
local terms energy: -45.364066
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -228.555670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.555670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.555670 (E_RNA)
where:
Base-Base interactions energy: -156.366
where: short stacking energy: -73.387
Base-Backbone interact. energy: -0.002
local terms energy: -72.187551
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -203.967466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967466 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.010
local terms energy: -75.241135
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -209.267294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.267294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.267294 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.335
local terms energy: -67.291213
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -218.653370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.653370 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.015
local terms energy: -75.644535
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -154.413137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.413137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.413137 (E_RNA)
where:
Base-Base interactions energy: -90.461
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.004
local terms energy: -63.947882
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -202.835709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.835709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.835709 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.002
local terms energy: -71.571649
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -132.418669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.418669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.418669 (E_RNA)
where:
Base-Base interactions energy: -80.903
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.130
local terms energy: -51.385086
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -88.035623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035623 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -29.864
Base-Backbone interact. energy: -0.055
local terms energy: -57.891141
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -91.366150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.366150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.366150 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -37.180
Base-Backbone interact. energy: -0.071
local terms energy: -46.294064
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -79.497506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.497506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.497506 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -20.455
Base-Backbone interact. energy: -1.394
local terms energy: -52.220372
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -232.394915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.394915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.394915 (E_RNA)
where:
Base-Base interactions energy: -154.324
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.251
local terms energy: -77.819864
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -23.526
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: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -212.871337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871337 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.004
local terms energy: -68.122575
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -10.026
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: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -197.966174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.966174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.966174 (E_RNA)
where:
Base-Base interactions energy: -128.710
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.109
local terms energy: -69.147137
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -1.929
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -213.370254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.370254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.370254 (E_RNA)
where:
Base-Base interactions energy: -143.045
where: short stacking energy: -62.935
Base-Backbone interact. energy: 0.457
local terms energy: -70.782116
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -163.215360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.215360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.215360 (E_RNA)
where:
Base-Base interactions energy: -102.860
where: short stacking energy: -53.868
Base-Backbone interact. energy: -0.017
local terms energy: -60.338865
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -15.022
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: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -147.353974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.353974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.353974 (E_RNA)
where:
Base-Base interactions energy: -96.199
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.950
local terms energy: -50.204995
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -1.679
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -194.628825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.628825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.628825 (E_RNA)
where:
Base-Base interactions energy: -124.764
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.598
local terms energy: -69.266504
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -108.846584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.846584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.846584 (E_RNA)
where:
Base-Base interactions energy: -54.122
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.205
local terms energy: -54.519672
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -1.540
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: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -82.867404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.867404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.867404 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -1.429
local terms energy: -47.787421
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -78.642900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.642900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.642900 (E_RNA)
where:
Base-Base interactions energy: -27.085
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.104
local terms energy: -51.454377
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -226.163550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.163550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.163550 (E_RNA)
where:
Base-Base interactions energy: -151.079
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.092
local terms energy: -74.992259
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -206.778520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.778520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.778520 (E_RNA)
where:
Base-Base interactions energy: -147.757
where: short stacking energy: -64.857
Base-Backbone interact. energy: -1.216
local terms energy: -57.805775
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -11.591
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: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -197.130972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.130972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.130972 (E_RNA)
where:
Base-Base interactions energy: -128.036
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.512
local terms energy: -68.583578
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -210.116992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.116992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.116992 (E_RNA)
where:
Base-Base interactions energy: -134.678
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.016
local terms energy: -75.423351
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -150.975863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.975863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.975863 (E_RNA)
where:
Base-Base interactions energy: -87.984
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.144
local terms energy: -62.848386
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.955
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: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -158.983575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.983575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.983575 (E_RNA)
where:
Base-Base interactions energy: -102.068
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.053
local terms energy: -56.862376
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -8.977
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: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -190.469126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469126 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.396
local terms energy: -66.861928
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -18.383
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: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -85.690676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690676 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -17.777
Base-Backbone interact. energy: -0.338
local terms energy: -51.117743
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -84.012215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.012215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.012215 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.174
local terms energy: -49.840995
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -2.280
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: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -81.904281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.904281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.904281 (E_RNA)
where:
Base-Base interactions energy: -30.217
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.808
local terms energy: -50.880150
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -230.294393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.294393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.294393 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.001
local terms energy: -78.463244
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -197.986070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.986070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.986070 (E_RNA)
where:
Base-Base interactions energy: -131.437
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.128
local terms energy: -66.421228
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -192.333393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.333393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.333393 (E_RNA)
where:
Base-Base interactions energy: -129.698
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.647
local terms energy: -61.988689
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -217.492356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.492356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.492356 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.389
local terms energy: -73.250737
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -155.447974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.447974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.447974 (E_RNA)
where:
Base-Base interactions energy: -93.891
where: short stacking energy: -49.287
Base-Backbone interact. energy: -0.283
local terms energy: -61.273915
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -7.549
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: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -193.012700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.012700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.012700 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.074
local terms energy: -66.307878
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -133.616774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.616774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.616774 (E_RNA)
where:
Base-Base interactions energy: -80.587
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.511
local terms energy: -52.518591
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -88.306674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306674 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.177
local terms energy: -60.487456
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -80.204742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204742 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -30.491
Base-Backbone interact. energy: 0.639
local terms energy: -45.798374
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -79.003890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.003890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.003890 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -27.961
Base-Backbone interact. energy: -0.241
local terms energy: -49.412583
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -240.743629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.743629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.743629 (E_RNA)
where:
Base-Base interactions energy: -158.476
where: short stacking energy: -74.979
Base-Backbone interact. energy: -0.001
local terms energy: -82.266841
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -205.505955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.505955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.505955 (E_RNA)
where:
Base-Base interactions energy: -136.129
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.429
local terms energy: -68.948132
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -221.309202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309202 (E_RNA)
where:
Base-Base interactions energy: -142.175
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.003
local terms energy: -79.131116
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -194.846810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.846810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.846810 (E_RNA)
where:
Base-Base interactions energy: -126.506
where: short stacking energy: -63.650
Base-Backbone interact. energy: -0.047
local terms energy: -68.293942
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -199.981627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981627 (E_RNA)
where:
Base-Base interactions energy: -128.223
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.162
local terms energy: -71.596495
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -190.926428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.926428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.926428 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.503
local terms energy: -65.962148
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -133.517121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.517121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.517121 (E_RNA)
where:
Base-Base interactions energy: -75.607
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.005
local terms energy: -57.905485
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -94.385406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.385406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.385406 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.133
local terms energy: -60.396862
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -92.117691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.117691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.117691 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -25.471
Base-Backbone interact. energy: -0.171
local terms energy: -46.472675
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -78.221115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.221115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.221115 (E_RNA)
where:
Base-Base interactions energy: -38.241
where: short stacking energy: -36.477
Base-Backbone interact. energy: -1.339
local terms energy: -38.641431
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -3.415
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: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -231.216099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216099 (E_RNA)
where:
Base-Base interactions energy: -150.285
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.006
local terms energy: -80.925358
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -20.055
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: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -228.578771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.578771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.578771 (E_RNA)
where:
Base-Base interactions energy: -150.577
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.012
local terms energy: -77.989510
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -188.597239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.597239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.597239 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.101
local terms energy: -66.305438
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -11.655
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: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -196.726169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.726169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.726169 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.007
local terms energy: -60.169577
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -202.895197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.895197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.895197 (E_RNA)
where:
Base-Base interactions energy: -134.081
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.076
local terms energy: -68.738017
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -185.574079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.574079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.574079 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.060
local terms energy: -67.295155
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -130.555989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.555989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.555989 (E_RNA)
where:
Base-Base interactions energy: -76.254
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.392
local terms energy: -53.909658
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -6.817
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: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -95.782007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782007 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -34.550
Base-Backbone interact. energy: 1.191
local terms energy: -60.730857
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -3.372
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: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -85.185299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185299 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -28.642
Base-Backbone interact. energy: 1.448
local terms energy: -53.723546
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -74.968934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.968934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.968934 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -15.343
Base-Backbone interact. energy: 1.637
local terms energy: -40.837966
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -226.880465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.880465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.880465 (E_RNA)
where:
Base-Base interactions energy: -144.778
where: short stacking energy: -71.002
Base-Backbone interact. energy: -0.003
local terms energy: -82.099723
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -21.668
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: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -234.103082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.103082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.103082 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.004
local terms energy: -78.979755
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -197.078113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.078113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.078113 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.292
local terms energy: -65.345457
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -18.741
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: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -198.903093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.903093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.903093 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.203
local terms energy: -65.687236
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -176.989095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.989095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.989095 (E_RNA)
where:
Base-Base interactions energy: -119.324
where: short stacking energy: -53.581
Base-Backbone interact. energy: -0.027
local terms energy: -57.638244
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -12.567
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: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -203.602876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.602876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.602876 (E_RNA)
where:
Base-Base interactions energy: -131.999
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.036
local terms energy: -71.568600
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -105.709840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.709840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.709840 (E_RNA)
where:
Base-Base interactions energy: -51.704
where: short stacking energy: -37.273
Base-Backbone interact. energy: -0.465
local terms energy: -53.540812
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.424
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: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -118.118643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.118643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.118643 (E_RNA)
where:
Base-Base interactions energy: -70.941
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.416
local terms energy: -46.761480
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -84.466490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.466490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.466490 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.169
local terms energy: -40.868462
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: 0.380
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: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -83.512310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.512310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.512310 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -29.403
Base-Backbone interact. energy: -1.093
local terms energy: -40.317871
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -4.258
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: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -229.687153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.687153 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -74.069
Base-Backbone interact. energy: 0.426
local terms energy: -80.640576
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -218.097315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097315 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -65.292
Base-Backbone interact. energy: -0.001
local terms energy: -79.294926
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -204.438616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.438616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.438616 (E_RNA)
where:
Base-Base interactions energy: -130.467
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.002
local terms energy: -73.969541
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -203.676277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.676277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.676277 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.026
local terms energy: -62.124311
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -19.887
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: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -191.061615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.061615 (E_RNA)
where:
Base-Base interactions energy: -121.096
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.650
local terms energy: -69.315497
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -202.560381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.560381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.560381 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.480
local terms energy: -69.800949
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.574
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: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -100.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.498238 (E_RNA)
where:
Base-Base interactions energy: -48.345
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.817
local terms energy: -51.335953
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.354
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: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -138.325713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.325713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.325713 (E_RNA)
where:
Base-Base interactions energy: -86.867
where: short stacking energy: -45.928
Base-Backbone interact. energy: -0.131
local terms energy: -51.327354
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -10.632
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.634852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.634852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.634852 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -37.474
Base-Backbone interact. energy: -0.892
local terms energy: -49.268930
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -0.218
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: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -69.734078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.734078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.734078 (E_RNA)
where:
Base-Base interactions energy: -22.695
where: short stacking energy: -22.314
Base-Backbone interact. energy: 1.019
local terms energy: -48.057901
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.446
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -230.812859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812859 (E_RNA)
where:
Base-Base interactions energy: -149.217
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.462
local terms energy: -81.133588
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -21.752
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -227.488275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488275 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.003
local terms energy: -82.524617
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -208.956082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.956082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.956082 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.159
local terms energy: -74.714628
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.970
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: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -195.937130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.937130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.937130 (E_RNA)
where:
Base-Base interactions energy: -128.173
where: short stacking energy: -66.130
Base-Backbone interact. energy: 0.524
local terms energy: -68.288165
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.790
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: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -192.629444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.629444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.629444 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.096
local terms energy: -61.634175
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -181.500304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500304 (E_RNA)
where:
Base-Base interactions energy: -113.662
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.144
local terms energy: -67.693603
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -131.267371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.267371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.267371 (E_RNA)
where:
Base-Base interactions energy: -77.379
where: short stacking energy: -36.051
Base-Backbone interact. energy: 0.122
local terms energy: -54.010895
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -93.494870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.494870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.494870 (E_RNA)
where:
Base-Base interactions energy: -34.968
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.093
local terms energy: -58.433746
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.888
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: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -93.729485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729485 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.200
local terms energy: -48.611242
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.632982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.632982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.632982 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -33.954
Base-Backbone interact. energy: -0.074
local terms energy: -45.605784
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -227.931819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.931819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.931819 (E_RNA)
where:
Base-Base interactions energy: -152.169
where: short stacking energy: -75.130
Base-Backbone interact. energy: -0.836
local terms energy: -74.927047
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -219.471839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.471839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.471839 (E_RNA)
where:
Base-Base interactions energy: -148.787
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.133
local terms energy: -70.551745
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -10.860
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -216.425477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.425477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.425477 (E_RNA)
where:
Base-Base interactions energy: -145.319
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.587
local terms energy: -70.519257
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -198.037799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.037799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.037799 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.313
local terms energy: -72.537338
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -193.842148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.842148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.842148 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -56.809
Base-Backbone interact. energy: -1.722
local terms energy: -56.980415
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -175.303272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.303272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.303272 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.202
local terms energy: -59.796078
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -128.992979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.992979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.992979 (E_RNA)
where:
Base-Base interactions energy: -76.580
where: short stacking energy: -40.506
Base-Backbone interact. energy: -0.029
local terms energy: -52.384306
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -100.247083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.247083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.247083 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.267
local terms energy: -70.318308
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -84.507052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507052 (E_RNA)
where:
Base-Base interactions energy: -44.727
where: short stacking energy: -20.842
Base-Backbone interact. energy: -0.859
local terms energy: -38.921034
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -86.899507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899507 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.153
local terms energy: -53.742072
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -230.845290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.845290 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.023
local terms energy: -81.573328
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -222.681409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.681409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.681409 (E_RNA)
where:
Base-Base interactions energy: -147.781
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.345
local terms energy: -74.555534
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -224.755159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755159 (E_RNA)
where:
Base-Base interactions energy: -145.880
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.012
local terms energy: -78.863091
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -192.531153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.531153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.531153 (E_RNA)
where:
Base-Base interactions energy: -128.658
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.081
local terms energy: -63.791780
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -189.329506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.329506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.329506 (E_RNA)
where:
Base-Base interactions energy: -117.789
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.113
local terms energy: -71.427204
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -9.367
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: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -189.617794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.617794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.617794 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.061
local terms energy: -65.184911
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.146
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: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -143.379327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.379327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.379327 (E_RNA)
where:
Base-Base interactions energy: -86.934
where: short stacking energy: -52.242
Base-Backbone interact. energy: 0.042
local terms energy: -56.486682
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -80.248850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.248850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.248850 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -24.326
Base-Backbone interact. energy: -0.352
local terms energy: -47.063820
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -10.490
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: 188
Temperature: 1.300000
Total energy: -81.487228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487228 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.039
local terms energy: -46.486695
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.486
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -84.342965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342965 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -29.876
Base-Backbone interact. energy: -0.144
local terms energy: -54.323305
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -229.366638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.366638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.366638 (E_RNA)
where:
Base-Base interactions energy: -150.576
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.091
local terms energy: -78.699715
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -224.942820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.942820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942820 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.392
local terms energy: -80.374303
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -220.757582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757582 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.238
local terms energy: -73.480242
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -201.312335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.312335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.312335 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -69.155
Base-Backbone interact. energy: -0.012
local terms energy: -73.997444
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -188.740412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.740412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.740412 (E_RNA)
where:
Base-Base interactions energy: -121.088
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.017
local terms energy: -67.635818
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.664
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: 189
Temperature: 1.150000
Total energy: -177.689759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.689759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.689759 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -53.664
Base-Backbone interact. energy: 0.011
local terms energy: -66.589029
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -135.210895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.210895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.210895 (E_RNA)
where:
Base-Base interactions energy: -77.798
where: short stacking energy: -45.913
Base-Backbone interact. energy: -0.004
local terms energy: -57.408963
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -93.248785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.248785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.248785 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -32.743
Base-Backbone interact. energy: -0.067
local terms energy: -53.278850
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -86.798428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798428 (E_RNA)
where:
Base-Base interactions energy: -46.636
where: short stacking energy: -25.498
Base-Backbone interact. energy: -0.865
local terms energy: -39.297630
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -7.378
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -78.686003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.686003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.686003 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.041
local terms energy: -49.103524
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -1.890
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -228.402712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.402712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.402712 (E_RNA)
where:
Base-Base interactions energy: -147.689
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.361
local terms energy: -80.353391
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -232.287107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287107 (E_RNA)
where:
Base-Base interactions energy: -155.402
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.184
local terms energy: -76.701846
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -19.411
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: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -222.042265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042265 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -73.323
Base-Backbone interact. energy: -0.005
local terms energy: -77.167091
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -20.721
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: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -209.157458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.157458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.157458 (E_RNA)
where:
Base-Base interactions energy: -137.769
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.407
local terms energy: -70.981175
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -184.060446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.060446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.060446 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -58.291
Base-Backbone interact. energy: -0.001
local terms energy: -65.931010
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -189.399812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.399812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.399812 (E_RNA)
where:
Base-Base interactions energy: -121.984
where: short stacking energy: -63.088
Base-Backbone interact. energy: -0.011
local terms energy: -67.405108
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -128.335825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.335825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.335825 (E_RNA)
where:
Base-Base interactions energy: -71.343
where: short stacking energy: -40.192
Base-Backbone interact. energy: -0.236
local terms energy: -56.757203
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -8.997
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: 190
Temperature: 1.250000
Total energy: -86.092535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092535 (E_RNA)
where:
Base-Base interactions energy: -32.519
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.346
local terms energy: -53.227796
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -11.349
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: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -80.468614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.468614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.468614 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.193
local terms energy: -55.262006
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -77.702818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.702818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.702818 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.912
local terms energy: -43.739271
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -10.067
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -231.718951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718951 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -74.581
Base-Backbone interact. energy: -0.416
local terms energy: -83.073829
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -21.859
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: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -226.703163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.703163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.703163 (E_RNA)
where:
Base-Base interactions energy: -150.797
where: short stacking energy: -78.019
Base-Backbone interact. energy: -0.168
local terms energy: -75.737488
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -223.231342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231342 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.003
local terms energy: -77.217998
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -210.741556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.741556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.741556 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.113
local terms energy: -72.651051
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -21.892
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -180.568770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.568770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.568770 (E_RNA)
where:
Base-Base interactions energy: -112.794
where: short stacking energy: -50.836
Base-Backbone interact. energy: -0.052
local terms energy: -67.722962
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.990
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -185.673444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673444 (E_RNA)
where:
Base-Base interactions energy: -117.323
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.006
local terms energy: -68.345029
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -128.373401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.373401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.373401 (E_RNA)
where:
Base-Base interactions energy: -73.437
where: short stacking energy: -36.827
Base-Backbone interact. energy: -0.023
local terms energy: -54.912907
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.179055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179055 (E_RNA)
where:
Base-Base interactions energy: -48.181
where: short stacking energy: -25.413
Base-Backbone interact. energy: -0.607
local terms energy: -43.391379
where:
bonds (distance) C4'-P energy: -4.885
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -6.307
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: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -78.564126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564126 (E_RNA)
where:
Base-Base interactions energy: -32.693
where: short stacking energy: -29.455
Base-Backbone interact. energy: -0.101
local terms energy: -45.769425
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -72.402794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.402794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.402794 (E_RNA)
where:
Base-Base interactions energy: -13.416
where: short stacking energy: -13.381
Base-Backbone interact. energy: 1.334
local terms energy: -60.320402
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -232.035021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.035021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.035021 (E_RNA)
where:
Base-Base interactions energy: -150.876
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.153
local terms energy: -81.006531
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -23.068
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: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -225.949637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.949637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.949637 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.011
local terms energy: -78.052879
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -221.931806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931806 (E_RNA)
where:
Base-Base interactions energy: -149.138
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.007
local terms energy: -72.786665
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -207.517224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.517224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.517224 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.675
local terms energy: -69.442421
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -200.222888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222888 (E_RNA)
where:
Base-Base interactions energy: -126.099
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.015
local terms energy: -74.108457
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -179.409533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.409533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.409533 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.079
local terms energy: -66.615827
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -128.871434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.871434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.871434 (E_RNA)
where:
Base-Base interactions energy: -81.241
where: short stacking energy: -38.161
Base-Backbone interact. energy: -1.087
local terms energy: -46.542919
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -125.941033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.941033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.941033 (E_RNA)
where:
Base-Base interactions energy: -72.747
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.190
local terms energy: -53.004261
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: 0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -80.449627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.449627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.449627 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.177
local terms energy: -43.230194
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -74.730110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.730110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.730110 (E_RNA)
where:
Base-Base interactions energy: -21.135
where: short stacking energy: -21.135
Base-Backbone interact. energy: -0.222
local terms energy: -53.373198
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -228.390946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.390946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.390946 (E_RNA)
where:
Base-Base interactions energy: -153.369
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.001
local terms energy: -75.020986
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -20.110
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: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -226.266451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266451 (E_RNA)
where:
Base-Base interactions energy: -148.899
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.259
local terms energy: -77.108160
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -223.623643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.623643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.623643 (E_RNA)
where:
Base-Base interactions energy: -151.379
where: short stacking energy: -66.289
Base-Backbone interact. energy: -0.001
local terms energy: -72.243629
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -213.598501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.598501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.598501 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -65.475
Base-Backbone interact. energy: -1.124
local terms energy: -77.378060
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -20.886
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -196.512042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.512042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.512042 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.001
local terms energy: -70.899479
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -168.750619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.750619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.750619 (E_RNA)
where:
Base-Base interactions energy: -109.110
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.188
local terms energy: -59.453115
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -145.775008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.775008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.775008 (E_RNA)
where:
Base-Base interactions energy: -87.344
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.216
local terms energy: -58.215049
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -6.971
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: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -94.862589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.862589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.862589 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -38.098
Base-Backbone interact. energy: -0.232
local terms energy: -53.985899
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.974
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -130.162912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.162912 (E_RNA)
where:
Base-Base interactions energy: -81.155
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.205
local terms energy: -48.803003
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -3.706
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -64.688190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.688190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.688190 (E_RNA)
where:
Base-Base interactions energy: -18.481
where: short stacking energy: -16.789
Base-Backbone interact. energy: -0.430
local terms energy: -45.777081
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -226.427563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.427563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.427563 (E_RNA)
where:
Base-Base interactions energy: -148.448
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.037
local terms energy: -77.941910
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -228.992074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.992074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.992074 (E_RNA)
where:
Base-Base interactions energy: -152.217
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.021
local terms energy: -76.754062
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -217.670464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.670464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.670464 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.257
local terms energy: -79.617563
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -18.632
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -217.507484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507484 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.172
local terms energy: -72.024030
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -188.775207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.775207 (E_RNA)
where:
Base-Base interactions energy: -126.580
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.593
local terms energy: -61.601995
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -182.175817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.175817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.175817 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.300
local terms energy: -64.527075
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -8.342
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: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -138.532827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.532827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.532827 (E_RNA)
where:
Base-Base interactions energy: -78.930
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.904
local terms energy: -58.698710
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -95.201252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.201252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.201252 (E_RNA)
where:
Base-Base interactions energy: -39.608
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.176
local terms energy: -55.417029
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -91.397581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.397581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.397581 (E_RNA)
where:
Base-Base interactions energy: -39.672
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.079
local terms energy: -51.647092
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -83.479351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479351 (E_RNA)
where:
Base-Base interactions energy: -21.179
where: short stacking energy: -20.522
Base-Backbone interact. energy: -0.115
local terms energy: -62.185631
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -223.940808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.940808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.940808 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.636
local terms energy: -83.239870
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -222.534452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.534452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534452 (E_RNA)
where:
Base-Base interactions energy: -147.573
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.001
local terms energy: -74.960914
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -226.188460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.188460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.188460 (E_RNA)
where:
Base-Base interactions energy: -150.846
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.647
local terms energy: -74.695105
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -204.463399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.463399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.463399 (E_RNA)
where:
Base-Base interactions energy: -129.482
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.014
local terms energy: -74.967973
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -192.035158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.035158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.035158 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -48.539
Base-Backbone interact. energy: -0.405
local terms energy: -71.107775
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -10.846
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: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -159.776236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.776236 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.551
local terms energy: -62.780279
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -10.154
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -166.522048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.522048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.522048 (E_RNA)
where:
Base-Base interactions energy: -107.258
where: short stacking energy: -52.977
Base-Backbone interact. energy: -0.868
local terms energy: -58.395504
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -88.652123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652123 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -30.988
Base-Backbone interact. energy: 0.279
local terms energy: -49.240959
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -7.961
flat angles P-C4'-P energy: -11.051
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -88.208369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.208369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.208369 (E_RNA)
where:
Base-Base interactions energy: -41.143
where: short stacking energy: -38.276
Base-Backbone interact. energy: -0.040
local terms energy: -47.025649
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -3.325
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: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -75.903233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.903233 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.292
local terms energy: -43.584483
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.251
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -229.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.765716 (E_RNA)
where:
Base-Base interactions energy: -156.343
where: short stacking energy: -73.641
Base-Backbone interact. energy: -0.013
local terms energy: -73.409894
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -18.591
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: 196
Temperature: 0.950000
Total energy: -225.424795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.424795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.424795 (E_RNA)
where:
Base-Base interactions energy: -151.279
where: short stacking energy: -72.165
Base-Backbone interact. energy: -0.211
local terms energy: -73.934265
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -212.869902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.869902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.869902 (E_RNA)
where:
Base-Base interactions energy: -133.751
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.002
local terms energy: -79.117117
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -216.806329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.806329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.806329 (E_RNA)
where:
Base-Base interactions energy: -147.623
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.285
local terms energy: -68.898067
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.669
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: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -191.310119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310119 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.005
local terms energy: -71.915590
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -130.023973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.023973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.023973 (E_RNA)
where:
Base-Base interactions energy: -76.694
where: short stacking energy: -37.006
Base-Backbone interact. energy: 0.130
local terms energy: -53.460126
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -171.953762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.953762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.953762 (E_RNA)
where:
Base-Base interactions energy: -109.542
where: short stacking energy: -51.809
Base-Backbone interact. energy: -0.372
local terms energy: -62.040177
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -104.314710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.314710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.314710 (E_RNA)
where:
Base-Base interactions energy: -53.112
where: short stacking energy: -32.250
Base-Backbone interact. energy: 1.121
local terms energy: -52.323419
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -6.791
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -85.394838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.394838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.394838 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -34.499
Base-Backbone interact. energy: 0.559
local terms energy: -51.454329
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -77.114843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.114843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.114843 (E_RNA)
where:
Base-Base interactions energy: -22.891
where: short stacking energy: -19.666
Base-Backbone interact. energy: -0.158
local terms energy: -54.066236
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -3.352
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: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -236.762761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.762761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.762761 (E_RNA)
where:
Base-Base interactions energy: -164.484
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.008
local terms energy: -72.270564
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -234.996149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.996149 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -82.020
Base-Backbone interact. energy: -0.033
local terms energy: -81.574521
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -221.621739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.621739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.621739 (E_RNA)
where:
Base-Base interactions energy: -140.614
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.000
local terms energy: -81.007990
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -185.238657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.238657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.238657 (E_RNA)
where:
Base-Base interactions energy: -122.884
where: short stacking energy: -57.778
Base-Backbone interact. energy: 0.476
local terms energy: -62.830767
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -210.018211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.018211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.018211 (E_RNA)
where:
Base-Base interactions energy: -135.670
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.101
local terms energy: -74.247082
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.160
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: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -184.516021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516021 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.424
local terms energy: -52.193524
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -130.683566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.683566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.683566 (E_RNA)
where:
Base-Base interactions energy: -77.863
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.002
local terms energy: -52.818298
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -4.693
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: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -92.702573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.702573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.702573 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -27.377
Base-Backbone interact. energy: 0.914
local terms energy: -52.579216
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -3.720
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: 197
Temperature: 1.300000
Total energy: -95.278572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278572 (E_RNA)
where:
Base-Base interactions energy: -48.438
where: short stacking energy: -25.839
Base-Backbone interact. energy: -0.004
local terms energy: -46.836708
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -82.391425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.391425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.391425 (E_RNA)
where:
Base-Base interactions energy: -46.606
where: short stacking energy: -22.444
Base-Backbone interact. energy: 0.030
local terms energy: -35.816000
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -221.655060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.655060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.655060 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.005
local terms energy: -78.223837
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -220.347361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.347361 (E_RNA)
where:
Base-Base interactions energy: -143.836
where: short stacking energy: -71.554
Base-Backbone interact. energy: -0.002
local terms energy: -76.508771
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -22.043
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: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -226.103194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.103194 (E_RNA)
where:
Base-Base interactions energy: -151.499
where: short stacking energy: -73.472
Base-Backbone interact. energy: 1.075
local terms energy: -75.679244
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -193.641665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.641665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.641665 (E_RNA)
where:
Base-Base interactions energy: -126.254
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.014
local terms energy: -67.373249
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -175.130909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.130909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.130909 (E_RNA)
where:
Base-Base interactions energy: -114.902
where: short stacking energy: -57.263
Base-Backbone interact. energy: 1.641
local terms energy: -61.869754
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -210.794603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.794603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794603 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.003
local terms energy: -71.643840
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -18.503
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: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -92.129303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.129303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.129303 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.114
local terms energy: -54.332474
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -137.953444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.953444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.953444 (E_RNA)
where:
Base-Base interactions energy: -79.972
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.034
local terms energy: -57.947081
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -82.620377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.620377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.620377 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -21.905
Base-Backbone interact. energy: -0.036
local terms energy: -51.307729
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.678
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: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -86.500241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.500241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.500241 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.447
local terms energy: -52.272403
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -227.308900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.308900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.308900 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.276
local terms energy: -81.819551
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -220.533217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.533217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.533217 (E_RNA)
where:
Base-Base interactions energy: -149.692
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.837
local terms energy: -70.004520
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -226.965676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.965676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.965676 (E_RNA)
where:
Base-Base interactions energy: -148.777
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.000
local terms energy: -78.188501
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -191.434655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.434655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.434655 (E_RNA)
where:
Base-Base interactions energy: -121.174
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.033
local terms energy: -70.227437
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -181.888041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.888041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.888041 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.002
local terms energy: -71.920225
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -13.744
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: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -210.990641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.990641 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.047
local terms energy: -67.656203
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.930
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -92.882354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882354 (E_RNA)
where:
Base-Base interactions energy: -30.105
where: short stacking energy: -20.067
Base-Backbone interact. energy: -1.347
local terms energy: -61.429706
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -127.456234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.456234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.456234 (E_RNA)
where:
Base-Base interactions energy: -74.422
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.093
local terms energy: -52.940653
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -5.934
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: 199
Temperature: 1.300000
Total energy: -135.815064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.815064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.815064 (E_RNA)
where:
Base-Base interactions energy: -85.965
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.824
local terms energy: -49.026049
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -80.987849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987849 (E_RNA)
where:
Base-Base interactions energy: -29.337
where: short stacking energy: -19.045
Base-Backbone interact. energy: -1.343
local terms energy: -50.308255
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 3.514
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: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -226.708099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.708099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.708099 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.327
local terms energy: -81.546579
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -231.373676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.373676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.373676 (E_RNA)
where:
Base-Base interactions energy: -149.865
where: short stacking energy: -79.414
Base-Backbone interact. energy: -0.400
local terms energy: -81.109305
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -222.304827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304827 (E_RNA)
where:
Base-Base interactions energy: -149.835
where: short stacking energy: -72.240
Base-Backbone interact. energy: -0.134
local terms energy: -72.336495
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -20.656
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -193.306379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.306379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.306379 (E_RNA)
where:
Base-Base interactions energy: -131.828
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.005
local terms energy: -61.472894
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -7.420
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: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -194.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.073200 (E_RNA)
where:
Base-Base interactions energy: -125.354
where: short stacking energy: -60.522
Base-Backbone interact. energy: -0.023
local terms energy: -68.696007
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -174.298654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.298654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.298654 (E_RNA)
where:
Base-Base interactions energy: -109.581
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.079
local terms energy: -64.638332
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.986
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: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -130.025504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025504 (E_RNA)
where:
Base-Base interactions energy: -77.194
where: short stacking energy: -36.421
Base-Backbone interact. energy: -1.163
local terms energy: -51.669132
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -85.483173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.483173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.483173 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -25.997
Base-Backbone interact. energy: -0.235
local terms energy: -55.285810
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -83.128085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128085 (E_RNA)
where:
Base-Base interactions energy: -33.420
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.706
local terms energy: -49.002042
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -4.028
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: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -80.234574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.234574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.234574 (E_RNA)
where:
Base-Base interactions energy: -28.612
where: short stacking energy: -27.240
Base-Backbone interact. energy: -0.993
local terms energy: -50.629700
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -7.642
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: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -230.088989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.088989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.088989 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -73.386
Base-Backbone interact. energy: 0.611
local terms energy: -79.118646
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -24.196
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: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -233.827139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.827139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.827139 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.002
local terms energy: -85.829646
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -23.397
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: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -216.971680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.971680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.971680 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -67.038
Base-Backbone interact. energy: -0.923
local terms energy: -78.367161
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -207.389861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.389861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.389861 (E_RNA)
where:
Base-Base interactions energy: -136.294
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.004
local terms energy: -71.091570
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -184.185836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.185836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.185836 (E_RNA)
where:
Base-Base interactions energy: -117.153
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.190
local terms energy: -66.842537
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.689
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -144.669966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.669966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.669966 (E_RNA)
where:
Base-Base interactions energy: -89.167
where: short stacking energy: -46.214
Base-Backbone interact. energy: -0.472
local terms energy: -55.031086
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -177.054234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.054234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.054234 (E_RNA)
where:
Base-Base interactions energy: -118.442
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.106
local terms energy: -58.506821
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -85.817981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817981 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -27.011
Base-Backbone interact. energy: -0.154
local terms energy: -42.728247
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: 0.444
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: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.766145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766145 (E_RNA)
where:
Base-Base interactions energy: -32.175
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.096
local terms energy: -55.495115
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -86.915197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915197 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.040
local terms energy: -50.120111
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -228.714796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.714796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.714796 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.020
local terms energy: -77.829063
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -20.366
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -229.041944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.041944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.041944 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.002
local terms energy: -80.595025
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -21.626
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: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -223.169505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.169505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.169505 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.721
local terms energy: -79.713733
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -215.698719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.698719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698719 (E_RNA)
where:
Base-Base interactions energy: -142.195
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.026
local terms energy: -73.477708
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -189.862408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.862408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.862408 (E_RNA)
where:
Base-Base interactions energy: -125.028
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.167
local terms energy: -64.667523
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -145.304166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.304166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.304166 (E_RNA)
where:
Base-Base interactions energy: -92.581
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.167
local terms energy: -52.556252
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -4.273
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: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -179.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895107 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.433
local terms energy: -55.696753
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -7.947
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: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -92.804470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804470 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -24.499
Base-Backbone interact. energy: 0.846
local terms energy: -50.254748
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -80.988835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.988835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.988835 (E_RNA)
where:
Base-Base interactions energy: -31.584
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.092
local terms energy: -49.312880
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -77.923272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.923272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.923272 (E_RNA)
where:
Base-Base interactions energy: -31.286
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.162
local terms energy: -46.474583
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.404
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -227.748904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.748904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.748904 (E_RNA)
where:
Base-Base interactions energy: -147.075
where: short stacking energy: -70.781
Base-Backbone interact. energy: -0.021
local terms energy: -80.653806
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -23.797
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: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -230.081652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.081652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.081652 (E_RNA)
where:
Base-Base interactions energy: -153.344
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.609
local terms energy: -76.128275
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -219.470003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.470003 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -66.418
Base-Backbone interact. energy: -1.246
local terms energy: -78.639206
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -189.154493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.154493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.154493 (E_RNA)
where:
Base-Base interactions energy: -116.855
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.259
local terms energy: -72.040771
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -10.430
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: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -210.291835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.291835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.291835 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.738
local terms energy: -72.583518
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -188.264667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.264667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.264667 (E_RNA)
where:
Base-Base interactions energy: -118.955
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.021
local terms energy: -69.288554
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -125.601141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.601141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.601141 (E_RNA)
where:
Base-Base interactions energy: -74.160
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.049
local terms energy: -51.391709
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -84.846875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.846875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.846875 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.041
local terms energy: -45.396873
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -6.257
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: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -88.723808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.723808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.723808 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -33.641
Base-Backbone interact. energy: 0.302
local terms energy: -55.384980
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -82.049695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.049695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.049695 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -35.737
Base-Backbone interact. energy: 0.932
local terms energy: -47.244617
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -5.619
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: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -232.422707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.422707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.422707 (E_RNA)
where:
Base-Base interactions energy: -152.670
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.579
local terms energy: -79.173468
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -223.231818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231818 (E_RNA)
where:
Base-Base interactions energy: -144.867
where: short stacking energy: -73.262
Base-Backbone interact. energy: -0.013
local terms energy: -78.352778
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -219.671693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671693 (E_RNA)
where:
Base-Base interactions energy: -141.405
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.010
local terms energy: -78.256412
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -12.344
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: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -190.538391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.538391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.538391 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.123
local terms energy: -72.975221
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.190
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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -218.459596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.459596 (E_RNA)
where:
Base-Base interactions energy: -143.394
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.002
local terms energy: -75.063509
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -7.914
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -179.856410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.856410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.856410 (E_RNA)
where:
Base-Base interactions energy: -123.701
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.107
local terms energy: -56.048300
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -142.480740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.480740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.480740 (E_RNA)
where:
Base-Base interactions energy: -92.778
where: short stacking energy: -56.191
Base-Backbone interact. energy: 1.164
local terms energy: -50.866530
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.422249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422249 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -30.600
Base-Backbone interact. energy: -0.384
local terms energy: -53.701867
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -85.854446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.854446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.854446 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -30.163
Base-Backbone interact. energy: -0.079
local terms energy: -55.612176
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -87.281449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.281449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.281449 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.214
local terms energy: -46.946428
where:
bonds (distance) C4'-P energy: -5.571
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -228.925661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925661 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -71.526
Base-Backbone interact. energy: -0.002
local terms energy: -82.425801
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -222.303722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.303722 (E_RNA)
where:
Base-Base interactions energy: -141.804
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.000
local terms energy: -80.499218
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -22.998
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -200.456558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.456558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.456558 (E_RNA)
where:
Base-Base interactions energy: -130.731
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.005
local terms energy: -69.720153
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.448
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: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -216.856866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.856866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.856866 (E_RNA)
where:
Base-Base interactions energy: -148.214
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.664
local terms energy: -67.978862
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -191.438886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.438886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.438886 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -58.480
Base-Backbone interact. energy: 0.410
local terms energy: -72.143841
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -183.864253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.864253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864253 (E_RNA)
where:
Base-Base interactions energy: -116.712
where: short stacking energy: -56.408
Base-Backbone interact. energy: 0.262
local terms energy: -67.414365
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -154.210071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.210071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.210071 (E_RNA)
where:
Base-Base interactions energy: -93.894
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.693
local terms energy: -59.623411
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -85.703179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.703179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.703179 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -33.810
Base-Backbone interact. energy: -0.214
local terms energy: -51.679232
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -91.653309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.653309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.653309 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.099
local terms energy: -53.035949
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.789
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: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.118626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.118626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.118626 (E_RNA)
where:
Base-Base interactions energy: -22.686
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.229
local terms energy: -52.203133
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -0.599
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: 206
Temperature: 0.900000
Total energy: -232.840354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.840354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.840354 (E_RNA)
where:
Base-Base interactions energy: -147.107
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.005
local terms energy: -85.728062
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -218.198536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.198536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.198536 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -75.562
Base-Backbone interact. energy: -0.372
local terms energy: -72.884858
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -226.021116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.021116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.021116 (E_RNA)
where:
Base-Base interactions energy: -155.751
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.000
local terms energy: -70.270187
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -205.551690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.551690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.551690 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.040
local terms energy: -58.902187
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -193.988056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.988056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.988056 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.436
local terms energy: -61.533790
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -151.779110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.779110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.779110 (E_RNA)
where:
Base-Base interactions energy: -90.670
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.469
local terms energy: -60.640062
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -126.002962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.002962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.002962 (E_RNA)
where:
Base-Base interactions energy: -73.405
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.232
local terms energy: -52.365654
where:
bonds (distance) C4'-P energy: -6.259
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -112.406239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.406239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.406239 (E_RNA)
where:
Base-Base interactions energy: -65.134
where: short stacking energy: -30.718
Base-Backbone interact. energy: -0.292
local terms energy: -46.979978
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -78.272804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.272804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.272804 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -20.382
Base-Backbone interact. energy: -0.057
local terms energy: -53.309884
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -8.330
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: 206
Temperature: 1.350000
Total energy: -79.983308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.983308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.983308 (E_RNA)
where:
Base-Base interactions energy: -27.410
where: short stacking energy: -27.410
Base-Backbone interact. energy: 0.458
local terms energy: -53.031375
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -236.734565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734565 (E_RNA)
where:
Base-Base interactions energy: -156.103
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.002
local terms energy: -80.629055
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -23.171
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: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -227.479074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479074 (E_RNA)
where:
Base-Base interactions energy: -146.962
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.301
local terms energy: -80.216442
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -23.386
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: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -203.232054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.232054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.232054 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.023
local terms energy: -73.647914
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -199.736111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.736111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.736111 (E_RNA)
where:
Base-Base interactions energy: -127.627
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.157
local terms energy: -71.952040
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.906
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: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -208.772807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.772807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.772807 (E_RNA)
where:
Base-Base interactions energy: -139.834
where: short stacking energy: -59.699
Base-Backbone interact. energy: 1.494
local terms energy: -70.433215
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.075
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -144.951429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.951429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.951429 (E_RNA)
where:
Base-Base interactions energy: -86.368
where: short stacking energy: -49.230
Base-Backbone interact. energy: -0.394
local terms energy: -58.188994
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -10.301
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: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -194.316889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.316889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.316889 (E_RNA)
where:
Base-Base interactions energy: -127.217
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.604
local terms energy: -66.496186
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -85.334406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.334406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.334406 (E_RNA)
where:
Base-Base interactions energy: -36.509
where: short stacking energy: -23.708
Base-Backbone interact. energy: 0.100
local terms energy: -48.925160
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -118.054457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.054457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.054457 (E_RNA)
where:
Base-Base interactions energy: -67.559
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.230
local terms energy: -50.265806
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.880
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: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -73.582937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.582937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.582937 (E_RNA)
where:
Base-Base interactions energy: -22.234
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.255
local terms energy: -51.093377
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -234.864447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864447 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -78.911
Base-Backbone interact. energy: -0.588
local terms energy: -81.350643
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -227.112543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.112543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.112543 (E_RNA)
where:
Base-Base interactions energy: -151.774
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.027
local terms energy: -75.311451
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -191.786398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.786398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.786398 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.465
local terms energy: -67.425178
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -206.892820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892820 (E_RNA)
where:
Base-Base interactions energy: -135.170
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.030
local terms energy: -71.692567
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -134.635137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.635137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.635137 (E_RNA)
where:
Base-Base interactions energy: -84.925
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.959
local terms energy: -48.751309
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -0.997
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: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -197.547586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.547586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.547586 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -54.212
Base-Backbone interact. energy: -0.058
local terms energy: -73.935052
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -16.351
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -187.438985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.438985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.438985 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.083
local terms energy: -64.762732
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -100.357023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.357023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.357023 (E_RNA)
where:
Base-Base interactions energy: -37.137
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.045
local terms energy: -63.175082
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -82.161997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161997 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.205
local terms energy: -55.565951
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -88.913389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.913389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.913389 (E_RNA)
where:
Base-Base interactions energy: -54.165
where: short stacking energy: -20.894
Base-Backbone interact. energy: -0.141
local terms energy: -34.606886
where:
bonds (distance) C4'-P energy: -6.709
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -4.093
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: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -232.544838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.544838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.544838 (E_RNA)
where:
Base-Base interactions energy: -154.167
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.125
local terms energy: -78.252731
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -19.071
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: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -225.319300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.319300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.319300 (E_RNA)
where:
Base-Base interactions energy: -154.535
where: short stacking energy: -77.653
Base-Backbone interact. energy: -0.021
local terms energy: -70.763950
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -200.448546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.448546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.448546 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.361
local terms energy: -73.319283
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -9.662
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: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -199.809833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.809833 (E_RNA)
where:
Base-Base interactions energy: -132.332
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.704
local terms energy: -66.773836
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -150.119089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.119089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.119089 (E_RNA)
where:
Base-Base interactions energy: -92.244
where: short stacking energy: -44.771
Base-Backbone interact. energy: 0.153
local terms energy: -58.027517
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -7.692
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: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -210.245846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.245846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.245846 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.630
local terms energy: -76.010718
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.231
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: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -192.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496154 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.157
local terms energy: -64.707660
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -79.419473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.419473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.419473 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.266
local terms energy: -39.120826
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -86.169715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.169715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.169715 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.014
local terms energy: -51.315671
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -76.034121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.034121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.034121 (E_RNA)
where:
Base-Base interactions energy: -22.009
where: short stacking energy: -18.661
Base-Backbone interact. energy: -0.135
local terms energy: -53.890423
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -224.652498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652498 (E_RNA)
where:
Base-Base interactions energy: -144.151
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.047
local terms energy: -80.454408
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -221.945306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.945306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.945306 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.001
local terms energy: -71.984142
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -214.869978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.869978 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.065
local terms energy: -72.171603
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -190.580824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.580824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.580824 (E_RNA)
where:
Base-Base interactions energy: -127.159
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.000
local terms energy: -63.421601
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -7.467
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: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -204.644004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.644004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.644004 (E_RNA)
where:
Base-Base interactions energy: -132.678
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.093
local terms energy: -71.873446
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -139.932293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.932293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.932293 (E_RNA)
where:
Base-Base interactions energy: -83.889
where: short stacking energy: -47.998
Base-Backbone interact. energy: -0.101
local terms energy: -55.941829
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -8.240
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -208.822949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.822949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.822949 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.157
local terms energy: -70.846521
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -103.736746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736746 (E_RNA)
where:
Base-Base interactions energy: -52.895
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.158
local terms energy: -50.684324
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.549
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: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -90.771602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.771602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.771602 (E_RNA)
where:
Base-Base interactions energy: -43.294
where: short stacking energy: -42.081
Base-Backbone interact. energy: 3.529
local terms energy: -51.005935
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.225
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -81.832385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.832385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.832385 (E_RNA)
where:
Base-Base interactions energy: -42.928
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.542
local terms energy: -38.362327
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -0.558
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -226.187511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187511 (E_RNA)
where:
Base-Base interactions energy: -152.819
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.000
local terms energy: -73.367578
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -21.804
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: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -225.705033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.705033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.705033 (E_RNA)
where:
Base-Base interactions energy: -146.084
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.010
local terms energy: -79.610960
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -22.140
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -211.400524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.400524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.400524 (E_RNA)
where:
Base-Base interactions energy: -144.099
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.084
local terms energy: -67.217926
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -192.000209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.000209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.000209 (E_RNA)
where:
Base-Base interactions energy: -127.078
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.005
local terms energy: -64.917469
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -184.488380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.488380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.488380 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -50.739
Base-Backbone interact. energy: -0.233
local terms energy: -52.648647
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.514
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: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -215.487561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487561 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.011
local terms energy: -72.247814
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -130.127472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.127472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.127472 (E_RNA)
where:
Base-Base interactions energy: -71.788
where: short stacking energy: -27.480
Base-Backbone interact. energy: -1.159
local terms energy: -57.180638
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -84.351761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351761 (E_RNA)
where:
Base-Base interactions energy: -38.830
where: short stacking energy: -35.285
Base-Backbone interact. energy: 0.734
local terms energy: -46.255221
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -89.368058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368058 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -21.025
Base-Backbone interact. energy: 1.906
local terms energy: -52.357559
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -2.652
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -83.985054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.985054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.985054 (E_RNA)
where:
Base-Base interactions energy: -44.713
where: short stacking energy: -31.990
Base-Backbone interact. energy: -0.063
local terms energy: -39.208539
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -226.373258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.373258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.373258 (E_RNA)
where:
Base-Base interactions energy: -154.010
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.015
local terms energy: -72.347624
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -227.253913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.253913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.253913 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -74.842
Base-Backbone interact. energy: -0.002
local terms energy: -72.555663
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -206.332406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.332406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.332406 (E_RNA)
where:
Base-Base interactions energy: -130.647
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.316
local terms energy: -75.369570
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -207.116424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.116424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.116424 (E_RNA)
where:
Base-Base interactions energy: -134.150
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.979
local terms energy: -71.986716
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -215.180900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.180900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.180900 (E_RNA)
where:
Base-Base interactions energy: -142.791
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.164
local terms energy: -72.225711
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -178.900371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.900371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.900371 (E_RNA)
where:
Base-Base interactions energy: -115.571
where: short stacking energy: -49.695
Base-Backbone interact. energy: -1.100
local terms energy: -62.229744
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -140.459830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.459830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.459830 (E_RNA)
where:
Base-Base interactions energy: -94.026
where: short stacking energy: -45.760
Base-Backbone interact. energy: 1.204
local terms energy: -47.637562
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -4.083
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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -85.185101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185101 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.051
local terms energy: -56.540360
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -85.944709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944709 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -19.383
Base-Backbone interact. energy: -0.168
local terms energy: -49.799329
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -79.637964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637964 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.196
local terms energy: -42.998422
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -6.408
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -231.134585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.134585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.134585 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.008
local terms energy: -74.802743
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -207.086980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.086980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.086980 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.108
local terms energy: -75.140102
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -225.074360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.074360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.074360 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -69.482
Base-Backbone interact. energy: -0.003
local terms energy: -76.517751
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -212.287407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.287407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.287407 (E_RNA)
where:
Base-Base interactions energy: -132.045
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.459
local terms energy: -79.783552
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -199.446497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446497 (E_RNA)
where:
Base-Base interactions energy: -123.978
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.011
local terms energy: -75.457259
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -184.747628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.747628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.747628 (E_RNA)
where:
Base-Base interactions energy: -133.295
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.033
local terms energy: -51.419775
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -139.355892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.355892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.355892 (E_RNA)
where:
Base-Base interactions energy: -80.096
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.048
local terms energy: -59.212515
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -87.136962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136962 (E_RNA)
where:
Base-Base interactions energy: -39.398
where: short stacking energy: -28.754
Base-Backbone interact. energy: -0.347
local terms energy: -47.392405
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: 1.394
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: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -94.552753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.552753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.552753 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -38.909
Base-Backbone interact. energy: -0.230
local terms energy: -55.413726
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -93.185051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.185051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.185051 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.180
local terms energy: -47.431609
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -229.382312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.382312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.382312 (E_RNA)
where:
Base-Base interactions energy: -154.259
where: short stacking energy: -80.980
Base-Backbone interact. energy: -0.051
local terms energy: -75.071327
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -211.833482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.833482 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -66.715
Base-Backbone interact. energy: -0.003
local terms energy: -76.102656
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -220.366446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.366446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.366446 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -71.415
Base-Backbone interact. energy: -0.014
local terms energy: -69.375043
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.050
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: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -222.158793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.158793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.158793 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.041
local terms energy: -72.651176
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -208.863832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.863832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863832 (E_RNA)
where:
Base-Base interactions energy: -130.566
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.411
local terms energy: -77.886479
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -173.091361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.091361 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.003
local terms energy: -64.056345
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.022
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: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -131.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.786972 (E_RNA)
where:
Base-Base interactions energy: -85.495
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.009
local terms energy: -46.282742
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -97.752960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.752960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.752960 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.823
local terms energy: -57.566941
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -1.500
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -74.843822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.843822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.843822 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.202
local terms energy: -47.314504
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -75.670334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.670334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.670334 (E_RNA)
where:
Base-Base interactions energy: -27.628
where: short stacking energy: -23.195
Base-Backbone interact. energy: -0.163
local terms energy: -47.879579
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -226.410027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.410027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.410027 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -74.728
Base-Backbone interact. energy: -0.005
local terms energy: -72.517537
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -204.692887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.692887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.692887 (E_RNA)
where:
Base-Base interactions energy: -135.626
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.053
local terms energy: -69.012947
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -219.163671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.163671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.163671 (E_RNA)
where:
Base-Base interactions energy: -141.577
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.239
local terms energy: -77.348139
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -208.937006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.937006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.937006 (E_RNA)
where:
Base-Base interactions energy: -136.564
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.009
local terms energy: -72.364907
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -207.841655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.841655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.841655 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.003
local terms energy: -66.831576
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.367
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: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -191.492806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.492806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.492806 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.213
local terms energy: -60.723416
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -116.300499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.300499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.300499 (E_RNA)
where:
Base-Base interactions energy: -61.113
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.225
local terms energy: -54.962638
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -89.432954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432954 (E_RNA)
where:
Base-Base interactions energy: -33.895
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.134
local terms energy: -55.404032
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -86.964548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964548 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -32.800
Base-Backbone interact. energy: 0.456
local terms energy: -49.585330
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -7.235
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: 215
Temperature: 1.350000
Total energy: -81.669334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669334 (E_RNA)
where:
Base-Base interactions energy: -35.791
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.266
local terms energy: -45.612372
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -7.166
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: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -228.070260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.070260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.070260 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -72.651
Base-Backbone interact. energy: -0.009
local terms energy: -80.073889
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -223.559935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.559935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.559935 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.178
local terms energy: -77.808837
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -213.627267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.627267 (E_RNA)
where:
Base-Base interactions energy: -135.826
where: short stacking energy: -75.016
Base-Backbone interact. energy: -0.984
local terms energy: -76.817350
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -194.172514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.172514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.172514 (E_RNA)
where:
Base-Base interactions energy: -120.486
where: short stacking energy: -59.274
Base-Backbone interact. energy: -0.002
local terms energy: -73.683717
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -186.134903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.134903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.134903 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -59.950
Base-Backbone interact. energy: 0.343
local terms energy: -66.753181
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -196.054288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.054288 (E_RNA)
where:
Base-Base interactions energy: -129.411
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.171
local terms energy: -66.472849
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -5.503
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.733
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -131.998579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.998579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.998579 (E_RNA)
where:
Base-Base interactions energy: -77.160
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.243
local terms energy: -54.595443
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -11.512
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: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -82.744670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.744670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.744670 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.140
local terms energy: -42.854846
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -73.643481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.643481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.643481 (E_RNA)
where:
Base-Base interactions energy: -21.537
where: short stacking energy: -21.537
Base-Backbone interact. energy: -0.128
local terms energy: -51.979348
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -4.464
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: 216
Temperature: 1.350000
Total energy: -76.138735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.138735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.138735 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -19.507
Base-Backbone interact. energy: 0.126
local terms energy: -50.772593
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -8.106
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -229.408319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.408319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.408319 (E_RNA)
where:
Base-Base interactions energy: -150.525
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.580
local terms energy: -78.303532
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -21.415
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: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -221.345737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.345737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345737 (E_RNA)
where:
Base-Base interactions energy: -153.213
where: short stacking energy: -70.614
Base-Backbone interact. energy: -0.731
local terms energy: -67.401522
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -205.073520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.073520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.073520 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -72.010
Base-Backbone interact. energy: -0.006
local terms energy: -72.944717
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -194.809198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.809198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.809198 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.047
local terms energy: -70.614433
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -205.826714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.826714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.826714 (E_RNA)
where:
Base-Base interactions energy: -140.144
where: short stacking energy: -61.541
Base-Backbone interact. energy: 1.040
local terms energy: -66.722184
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -8.157
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.385
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: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -199.655993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.655993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.655993 (E_RNA)
where:
Base-Base interactions energy: -131.351
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.001
local terms energy: -68.303558
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -129.614014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.614014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.614014 (E_RNA)
where:
Base-Base interactions energy: -77.855
where: short stacking energy: -46.295
Base-Backbone interact. energy: -0.186
local terms energy: -51.572428
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -6.202
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: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -88.394171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394171 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -30.455
Base-Backbone interact. energy: 0.449
local terms energy: -53.720847
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -86.362529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.362529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.362529 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.395
local terms energy: -57.621437
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -81.780217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780217 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -34.201
Base-Backbone interact. energy: -0.144
local terms energy: -45.552826
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -7.347
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.713
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: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -221.799644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799644 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.281
local terms energy: -72.438244
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -228.717711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.717711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.717711 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.008
local terms energy: -78.695695
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -201.159437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.159437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.159437 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -63.648
Base-Backbone interact. energy: 1.159
local terms energy: -74.238936
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -216.893619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893619 (E_RNA)
where:
Base-Base interactions energy: -142.808
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.127
local terms energy: -73.958546
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -196.693891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.693891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.693891 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.098
local terms energy: -64.843535
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -199.435647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.435647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.435647 (E_RNA)
where:
Base-Base interactions energy: -125.982
where: short stacking energy: -54.694
Base-Backbone interact. energy: 0.043
local terms energy: -73.496277
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -141.916209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.916209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.916209 (E_RNA)
where:
Base-Base interactions energy: -85.086
where: short stacking energy: -43.869
Base-Backbone interact. energy: -0.258
local terms energy: -56.571890
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -106.520824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.520824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.520824 (E_RNA)
where:
Base-Base interactions energy: -62.388
where: short stacking energy: -35.604
Base-Backbone interact. energy: -0.077
local terms energy: -44.055758
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -93.473710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.473710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.473710 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -38.890
Base-Backbone interact. energy: -0.033
local terms energy: -51.135996
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -78.972425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.972425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.972425 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.092
local terms energy: -46.583976
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.980
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -219.676184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676184 (E_RNA)
where:
Base-Base interactions energy: -145.586
where: short stacking energy: -69.734
Base-Backbone interact. energy: -1.003
local terms energy: -73.086815
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -223.510882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.510882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.510882 (E_RNA)
where:
Base-Base interactions energy: -152.446
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.001
local terms energy: -71.064205
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -203.564835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.564835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.564835 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.114
local terms energy: -69.430024
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.842
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: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -216.044293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044293 (E_RNA)
where:
Base-Base interactions energy: -137.115
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.081
local terms energy: -78.847324
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -199.392280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.392280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.392280 (E_RNA)
where:
Base-Base interactions energy: -131.774
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.199
local terms energy: -67.419452
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -9.324
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: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -187.770499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.770499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.770499 (E_RNA)
where:
Base-Base interactions energy: -121.839
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.096
local terms energy: -65.835883
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -14.771
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: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -119.827146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.827146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.827146 (E_RNA)
where:
Base-Base interactions energy: -53.735
where: short stacking energy: -50.029
Base-Backbone interact. energy: 0.363
local terms energy: -66.454610
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -100.870579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.870579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.870579 (E_RNA)
where:
Base-Base interactions energy: -39.767
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.022
local terms energy: -61.081179
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.826
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: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -82.009412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.009412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.009412 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.231
local terms energy: -49.256295
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.589014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589014 (E_RNA)
where:
Base-Base interactions energy: -26.700
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.306
local terms energy: -50.583317
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.284
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: 220
Temperature: 0.900000
Total energy: -222.763943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.763943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.763943 (E_RNA)
where:
Base-Base interactions energy: -152.146
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.006
local terms energy: -70.612577
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -4.944
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -222.907142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.907142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.907142 (E_RNA)
where:
Base-Base interactions energy: -145.938
where: short stacking energy: -69.147
Base-Backbone interact. energy: -0.000
local terms energy: -76.969136
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -21.650
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -222.031866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.031866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.031866 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.012
local terms energy: -74.392840
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -184.759371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759371 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.104
local terms energy: -60.691655
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -205.419297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419297 (E_RNA)
where:
Base-Base interactions energy: -126.255
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.149
local terms energy: -79.015087
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -196.663659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.663659 (E_RNA)
where:
Base-Base interactions energy: -120.899
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.004
local terms energy: -75.760554
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -100.849426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.849426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.849426 (E_RNA)
where:
Base-Base interactions energy: -47.121
where: short stacking energy: -33.368
Base-Backbone interact. energy: -0.855
local terms energy: -52.872964
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -1.922
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: 220
Temperature: 1.250000
Total energy: -92.280602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.280602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.280602 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -32.216
Base-Backbone interact. energy: -0.188
local terms energy: -57.459395
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -93.445748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.445748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.445748 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -28.383
Base-Backbone interact. energy: 0.524
local terms energy: -57.095309
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -71.837696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.837696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.837696 (E_RNA)
where:
Base-Base interactions energy: -24.495
where: short stacking energy: -15.410
Base-Backbone interact. energy: -0.051
local terms energy: -47.291679
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -11.333
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -222.656039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.656039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.656039 (E_RNA)
where:
Base-Base interactions energy: -145.924
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.044
local terms energy: -76.687614
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -231.117642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.117642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.117642 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.042
local terms energy: -81.181168
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -23.206
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: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -227.881979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.881979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.881979 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -75.843
Base-Backbone interact. energy: 0.713
local terms energy: -81.004441
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -19.780
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -194.306218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.306218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.306218 (E_RNA)
where:
Base-Base interactions energy: -124.065
where: short stacking energy: -60.249
Base-Backbone interact. energy: -0.083
local terms energy: -70.158165
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -13.247
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -175.188167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.188167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.188167 (E_RNA)
where:
Base-Base interactions energy: -106.707
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.751
local terms energy: -67.729846
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -200.308029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.308029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.308029 (E_RNA)
where:
Base-Base interactions energy: -129.495
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.030
local terms energy: -70.783570
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -22.714
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: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -104.919969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.919969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.919969 (E_RNA)
where:
Base-Base interactions energy: -52.989
where: short stacking energy: -37.614
Base-Backbone interact. energy: -0.086
local terms energy: -51.844784
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.389
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: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -92.953463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.953463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.953463 (E_RNA)
where:
Base-Base interactions energy: -40.883
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.617
local terms energy: -51.453940
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -109.780320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.780320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.780320 (E_RNA)
where:
Base-Base interactions energy: -62.207
where: short stacking energy: -32.889
Base-Backbone interact. energy: -0.377
local terms energy: -47.196106
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.506
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: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -78.107150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.107150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.107150 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.274
local terms energy: -48.095984
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -229.710177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.710177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.710177 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.086
local terms energy: -75.128135
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -21.668
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: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -223.072648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.072648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.072648 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.073
local terms energy: -77.717696
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -217.611859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.611859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.611859 (E_RNA)
where:
Base-Base interactions energy: -150.258
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.045
local terms energy: -67.308778
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -206.720998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.720998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.720998 (E_RNA)
where:
Base-Base interactions energy: -131.998
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.000
local terms energy: -74.723209
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -204.939547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939547 (E_RNA)
where:
Base-Base interactions energy: -128.803
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.000
local terms energy: -76.136076
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -167.796640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.796640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.796640 (E_RNA)
where:
Base-Base interactions energy: -101.997
where: short stacking energy: -43.595
Base-Backbone interact. energy: -1.117
local terms energy: -64.681895
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -88.789165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789165 (E_RNA)
where:
Base-Base interactions energy: -38.178
where: short stacking energy: -36.666
Base-Backbone interact. energy: -0.205
local terms energy: -50.405495
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -94.409891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.409891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.409891 (E_RNA)
where:
Base-Base interactions energy: -39.764
where: short stacking energy: -39.764
Base-Backbone interact. energy: -0.163
local terms energy: -54.482713
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -86.805450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.805450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.805450 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -38.310
Base-Backbone interact. energy: -0.056
local terms energy: -48.439196
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -12.916
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: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -90.937838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.937838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.937838 (E_RNA)
where:
Base-Base interactions energy: -41.664
where: short stacking energy: -26.701
Base-Backbone interact. energy: -0.208
local terms energy: -49.065885
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -232.590190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.590190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.590190 (E_RNA)
where:
Base-Base interactions energy: -151.439
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.001
local terms energy: -81.150913
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -226.566122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566122 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -70.289
Base-Backbone interact. energy: -0.001
local terms energy: -82.203347
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -214.191859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.191859 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.922
local terms energy: -70.963059
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -19.881
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: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -214.727532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.727532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.727532 (E_RNA)
where:
Base-Base interactions energy: -145.293
where: short stacking energy: -75.301
Base-Backbone interact. energy: 0.319
local terms energy: -69.753928
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -190.904521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.904521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.904521 (E_RNA)
where:
Base-Base interactions energy: -122.103
where: short stacking energy: -65.893
Base-Backbone interact. energy: -0.097
local terms energy: -68.703578
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -175.355848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355848 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -43.004
Base-Backbone interact. energy: 0.026
local terms energy: -53.670932
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -108.569856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.569856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.569856 (E_RNA)
where:
Base-Base interactions energy: -45.394
where: short stacking energy: -42.398
Base-Backbone interact. energy: -0.037
local terms energy: -63.139125
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -7.723
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -83.029988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029988 (E_RNA)
where:
Base-Base interactions energy: -30.029
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.119
local terms energy: -52.882834
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -8.581
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: 223
Temperature: 1.300000
Total energy: -76.587239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587239 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.089
local terms energy: -48.407460
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -1.843
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: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -74.025704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.025704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.025704 (E_RNA)
where:
Base-Base interactions energy: -24.596
where: short stacking energy: -20.492
Base-Backbone interact. energy: 0.438
local terms energy: -49.867610
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -228.728449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.728449 (E_RNA)
where:
Base-Base interactions energy: -159.908
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.009
local terms energy: -68.810620
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -220.029467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.029467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.029467 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -62.182
Base-Backbone interact. energy: -0.739
local terms energy: -79.330324
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -225.779287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.779287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779287 (E_RNA)
where:
Base-Base interactions energy: -145.529
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.007
local terms energy: -80.242752
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -22.459
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: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -195.174270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.174270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.174270 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.389
local terms energy: -70.737463
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -182.049734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.049734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.049734 (E_RNA)
where:
Base-Base interactions energy: -112.938
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.251
local terms energy: -68.860502
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -181.868208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868208 (E_RNA)
where:
Base-Base interactions energy: -119.707
where: short stacking energy: -55.601
Base-Backbone interact. energy: 0.322
local terms energy: -62.483341
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -96.068520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.068520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.068520 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -42.255
Base-Backbone interact. energy: 0.955
local terms energy: -50.061010
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -7.483
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -93.660293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.660293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.660293 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.315
local terms energy: -57.250647
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -120.750611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.750611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.750611 (E_RNA)
where:
Base-Base interactions energy: -74.328
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.083
local terms energy: -46.339177
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -6.483
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -87.665665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665665 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -18.001
Base-Backbone interact. energy: -0.012
local terms energy: -47.837529
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -1.759
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: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -231.835409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.835409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.835409 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.041
local terms energy: -73.652020
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -230.096203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096203 (E_RNA)
where:
Base-Base interactions energy: -160.979
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.000
local terms energy: -69.116512
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -21.856
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: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -218.089050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.089050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.089050 (E_RNA)
where:
Base-Base interactions energy: -144.074
where: short stacking energy: -73.266
Base-Backbone interact. energy: -0.005
local terms energy: -74.010065
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -20.517
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: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -180.389803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.389803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.389803 (E_RNA)
where:
Base-Base interactions energy: -119.526
where: short stacking energy: -50.100
Base-Backbone interact. energy: -0.009
local terms energy: -60.855077
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -203.255825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.255825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.255825 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -63.708
Base-Backbone interact. energy: -1.000
local terms energy: -70.291241
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -181.389595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.389595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.389595 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.138
local terms energy: -63.803479
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -10.327
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: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -102.449883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.449883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.449883 (E_RNA)
where:
Base-Base interactions energy: -61.505
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.186
local terms energy: -40.759227
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -123.874365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.874365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.874365 (E_RNA)
where:
Base-Base interactions energy: -70.940
where: short stacking energy: -39.982
Base-Backbone interact. energy: -0.140
local terms energy: -52.794903
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -5.693
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -87.600610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600610 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -35.220
Base-Backbone interact. energy: -0.080
local terms energy: -52.299822
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -9.040
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -78.246078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.246078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.246078 (E_RNA)
where:
Base-Base interactions energy: -32.848
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.361
local terms energy: -45.036983
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: -5.075
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -229.389198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.389198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.389198 (E_RNA)
where:
Base-Base interactions energy: -150.548
where: short stacking energy: -78.885
Base-Backbone interact. energy: 0.207
local terms energy: -79.048296
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -22.280
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: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -236.424616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.424616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.424616 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -80.338
Base-Backbone interact. energy: -0.026
local terms energy: -78.492781
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -20.847
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: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -201.061839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.061839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.061839 (E_RNA)
where:
Base-Base interactions energy: -138.564
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.316
local terms energy: -62.182285
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -221.329940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329940 (E_RNA)
where:
Base-Base interactions energy: -145.570
where: short stacking energy: -71.646
Base-Backbone interact. energy: -0.032
local terms energy: -75.727805
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -211.703073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703073 (E_RNA)
where:
Base-Base interactions energy: -140.303
where: short stacking energy: -71.623
Base-Backbone interact. energy: -0.087
local terms energy: -71.312989
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -206.985495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.985495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.985495 (E_RNA)
where:
Base-Base interactions energy: -136.927
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.004
local terms energy: -70.053873
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -134.297913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.297913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.297913 (E_RNA)
where:
Base-Base interactions energy: -84.201
where: short stacking energy: -31.377
Base-Backbone interact. energy: -0.110
local terms energy: -49.987191
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -86.747762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747762 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.116
local terms energy: -50.418898
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -3.364
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: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -77.443543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443543 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -16.768
Base-Backbone interact. energy: -0.416
local terms energy: -40.243237
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -5.574
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: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.585618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585618 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.184
local terms energy: -39.688832
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.879
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -234.938778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.938778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.938778 (E_RNA)
where:
Base-Base interactions energy: -156.754
where: short stacking energy: -76.442
Base-Backbone interact. energy: -0.630
local terms energy: -77.554016
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -232.287734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287734 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -75.033
Base-Backbone interact. energy: 0.030
local terms energy: -81.470423
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -186.067666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.067666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.067666 (E_RNA)
where:
Base-Base interactions energy: -128.480
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.014
local terms energy: -57.573611
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -210.275924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.275924 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.001
local terms energy: -70.968658
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -20.110
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: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -214.384358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384358 (E_RNA)
where:
Base-Base interactions energy: -143.087
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.106
local terms energy: -71.191244
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -8.838
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -214.721488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721488 (E_RNA)
where:
Base-Base interactions energy: -148.349
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.048
local terms energy: -66.324264
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -148.345793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.345793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.345793 (E_RNA)
where:
Base-Base interactions energy: -90.758
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.566
local terms energy: -57.021943
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -93.872429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.872429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.872429 (E_RNA)
where:
Base-Base interactions energy: -43.457
where: short stacking energy: -22.403
Base-Backbone interact. energy: -0.767
local terms energy: -49.648996
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -0.759
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: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -77.382307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.382307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.382307 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -16.040
Base-Backbone interact. energy: 0.332
local terms energy: -50.659020
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -7.318
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -89.001813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001813 (E_RNA)
where:
Base-Base interactions energy: -28.013
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.028
local terms energy: -60.961067
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.247
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: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -235.504357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.504357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.504357 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -72.578
Base-Backbone interact. energy: -0.001
local terms energy: -84.637848
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -22.995
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: 228
Temperature: 0.950000
Total energy: -226.276890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.276890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.276890 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -68.935
Base-Backbone interact. energy: -0.271
local terms energy: -73.955036
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -209.014105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.014105 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -76.889
Base-Backbone interact. energy: -0.032
local terms energy: -71.775321
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -17.825
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: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -186.974998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.974998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.974998 (E_RNA)
where:
Base-Base interactions energy: -120.569
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.333
local terms energy: -66.073326
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -203.847575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.847575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.847575 (E_RNA)
where:
Base-Base interactions energy: -128.516
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.196
local terms energy: -75.135438
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.504
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -209.550793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.550793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.550793 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.002
local terms energy: -69.276285
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -22.247
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: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -157.923543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.923543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.923543 (E_RNA)
where:
Base-Base interactions energy: -99.479
where: short stacking energy: -53.107
Base-Backbone interact. energy: -0.037
local terms energy: -58.407953
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -93.678080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.678080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.678080 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -35.652
Base-Backbone interact. energy: -0.093
local terms energy: -54.098290
where:
bonds (distance) C4'-P energy: -6.056
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -90.293395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293395 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.613
local terms energy: -53.867485
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -72.664980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.664980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.664980 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -27.654
Base-Backbone interact. energy: -0.054
local terms energy: -36.051075
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: 0.838
tors. eta vs tors. theta energy: 1.524
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: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -229.125653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.125653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.125653 (E_RNA)
where:
Base-Base interactions energy: -156.218
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.001
local terms energy: -72.906355
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -234.282088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.282088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.282088 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.014
local terms energy: -81.959190
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -218.867796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.867796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.867796 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -64.735
Base-Backbone interact. energy: 0.596
local terms energy: -77.932825
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -21.631
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -191.224011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.224011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224011 (E_RNA)
where:
Base-Base interactions energy: -125.895
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.046
local terms energy: -65.282961
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -209.280061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.280061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.280061 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -68.011
Base-Backbone interact. energy: -0.312
local terms energy: -70.875480
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.812
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -183.206593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.206593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.206593 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.764
local terms energy: -64.055839
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -11.971
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: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -154.870514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.870514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.870514 (E_RNA)
where:
Base-Base interactions energy: -91.255
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.119
local terms energy: -63.496020
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -91.464803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.464803 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -32.649
Base-Backbone interact. energy: 0.412
local terms energy: -55.545220
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -87.436769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436769 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.391
local terms energy: -53.469902
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -3.916
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: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -78.855178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855178 (E_RNA)
where:
Base-Base interactions energy: -26.367
where: short stacking energy: -25.493
Base-Backbone interact. energy: -0.090
local terms energy: -52.399051
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -229.666936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.666936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.666936 (E_RNA)
where:
Base-Base interactions energy: -155.471
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.003
local terms energy: -74.192156
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -22.306
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -231.216981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216981 (E_RNA)
where:
Base-Base interactions energy: -153.525
where: short stacking energy: -73.891
Base-Backbone interact. energy: -0.156
local terms energy: -77.535682
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -222.509840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509840 (E_RNA)
where:
Base-Base interactions energy: -149.150
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.052
local terms energy: -73.307561
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -20.524
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: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -192.000749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.000749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.000749 (E_RNA)
where:
Base-Base interactions energy: -130.641
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.025
local terms energy: -61.334878
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -193.995457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.995457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.995457 (E_RNA)
where:
Base-Base interactions energy: -120.151
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.462
local terms energy: -73.382014
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -187.175172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.175172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.175172 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.040
local terms energy: -70.946901
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -160.134553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.134553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.134553 (E_RNA)
where:
Base-Base interactions energy: -96.497
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.167
local terms energy: -63.471248
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -86.860986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860986 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.178
local terms energy: -47.533178
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -7.316
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -10.248
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: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -85.803104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.803104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.803104 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.297
local terms energy: -52.302135
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -71.881572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.881572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.881572 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.221
local terms energy: -43.580809
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -227.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.243362 (E_RNA)
where:
Base-Base interactions energy: -153.928
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.110
local terms energy: -73.205345
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.547
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: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -234.260005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.260005 (E_RNA)
where:
Base-Base interactions energy: -155.631
where: short stacking energy: -78.584
Base-Backbone interact. energy: 0.106
local terms energy: -78.735550
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -20.468
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -219.766223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.766223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.766223 (E_RNA)
where:
Base-Base interactions energy: -142.239
where: short stacking energy: -68.950
Base-Backbone interact. energy: -0.004
local terms energy: -77.523523
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -21.769
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: 231
Temperature: 1.050000
Total energy: -198.047652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.047652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.047652 (E_RNA)
where:
Base-Base interactions energy: -132.523
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.122
local terms energy: -65.402445
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -192.719280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.719280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.719280 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.022
local terms energy: -63.847242
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -203.783024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.783024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.783024 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.642
local terms energy: -61.783307
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.012
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: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -138.025053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.025053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.025053 (E_RNA)
where:
Base-Base interactions energy: -75.005
where: short stacking energy: -44.383
Base-Backbone interact. energy: -0.411
local terms energy: -62.608309
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -9.706
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -105.371303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.371303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.371303 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -26.546
Base-Backbone interact. energy: -2.658
local terms energy: -52.221664
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -8.070
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -73.402643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.402643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.402643 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.044
local terms energy: -38.410297
where:
bonds (distance) C4'-P energy: -1.767
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.773
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: 231
Temperature: 1.350000
Total energy: -73.084642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.084642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.084642 (E_RNA)
where:
Base-Base interactions energy: -24.844
where: short stacking energy: -16.870
Base-Backbone interact. energy: -0.121
local terms energy: -48.119339
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -227.560315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.560315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.560315 (E_RNA)
where:
Base-Base interactions energy: -149.646
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.072
local terms energy: -77.842392
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -220.204496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.204496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.204496 (E_RNA)
where:
Base-Base interactions energy: -148.023
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.038
local terms energy: -72.143941
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.575
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: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -207.349543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349543 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.027
local terms energy: -74.812409
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.473
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: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -219.567210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.567210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.567210 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -77.146
Base-Backbone interact. energy: -0.002
local terms energy: -79.354188
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -215.118184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.118184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.118184 (E_RNA)
where:
Base-Base interactions energy: -140.941
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.000
local terms energy: -74.177177
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -184.472286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.472286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.472286 (E_RNA)
where:
Base-Base interactions energy: -118.189
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.657
local terms energy: -65.625977
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -105.806260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.806260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.806260 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.800
local terms energy: -52.196355
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -4.882
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -86.470590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.470590 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -30.547
Base-Backbone interact. energy: 0.220
local terms energy: -51.710018
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -80.855061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.855061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.855061 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.356
local terms energy: -52.987748
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -86.080948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.080948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.080948 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.239
local terms energy: -49.861453
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -11.461
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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -220.974437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.974437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.974437 (E_RNA)
where:
Base-Base interactions energy: -146.322
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.008
local terms energy: -74.644443
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -226.622325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.622325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.622325 (E_RNA)
where:
Base-Base interactions energy: -157.972
where: short stacking energy: -74.109
Base-Backbone interact. energy: 1.207
local terms energy: -69.857854
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.624
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -218.950054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.950054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950054 (E_RNA)
where:
Base-Base interactions energy: -145.872
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.005
local terms energy: -73.072785
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -204.338879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338879 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.007
local terms energy: -73.479968
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -208.335130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.335130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.335130 (E_RNA)
where:
Base-Base interactions energy: -140.016
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.197
local terms energy: -68.122794
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -170.752704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.752704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.752704 (E_RNA)
where:
Base-Base interactions energy: -115.600
where: short stacking energy: -49.773
Base-Backbone interact. energy: -0.098
local terms energy: -55.055184
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -6.475
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -104.569452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.569452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.569452 (E_RNA)
where:
Base-Base interactions energy: -52.259
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.429
local terms energy: -51.880947
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -88.327210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327210 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -34.506
Base-Backbone interact. energy: 0.379
local terms energy: -53.917472
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -6.010
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: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.046682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.046682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.046682 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.262
local terms energy: -48.683174
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -1.016
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: 233
Temperature: 1.350000
Total energy: -110.302157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.302157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.302157 (E_RNA)
where:
Base-Base interactions energy: -54.318
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.025
local terms energy: -55.958955
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -227.578094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578094 (E_RNA)
where:
Base-Base interactions energy: -151.780
where: short stacking energy: -74.388
Base-Backbone interact. energy: 0.947
local terms energy: -76.745935
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -226.432101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432101 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -74.748
Base-Backbone interact. energy: 1.751
local terms energy: -74.750406
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -21.362
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: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -213.497319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.497319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.497319 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.014
local terms energy: -75.735913
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -193.519364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.519364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.519364 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -60.876
Base-Backbone interact. energy: -0.016
local terms energy: -73.152091
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -174.546499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.546499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.546499 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -52.772
Base-Backbone interact. energy: -0.260
local terms energy: -60.733687
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -11.811
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: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -199.978376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.978376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.978376 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.000
local terms energy: -78.110339
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.796
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: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -97.959595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959595 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -31.536
Base-Backbone interact. energy: -1.190
local terms energy: -52.889199
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -107.607939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.607939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.607939 (E_RNA)
where:
Base-Base interactions energy: -55.999
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.152
local terms energy: -51.456284
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -83.911096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.911096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.911096 (E_RNA)
where:
Base-Base interactions energy: -33.347
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.308
local terms energy: -50.256540
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -7.485
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: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -101.153528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.153528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.153528 (E_RNA)
where:
Base-Base interactions energy: -55.648
where: short stacking energy: -28.692
Base-Backbone interact. energy: -0.021
local terms energy: -45.483668
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -7.539
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -239.016173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.016173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.016173 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -76.940
Base-Backbone interact. energy: -0.113
local terms energy: -76.024981
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -223.112117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.112117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.112117 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.080
local terms energy: -70.023226
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -228.838738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838738 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.052
local terms energy: -75.354385
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -20.188
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: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -204.937630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.937630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.937630 (E_RNA)
where:
Base-Base interactions energy: -129.716
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.016
local terms energy: -75.204949
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -192.761836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.761836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.761836 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.099
local terms energy: -64.474678
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -10.595
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: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -201.410793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.410793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.410793 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.595
local terms energy: -68.057878
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -6.785
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: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -88.561817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.561817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.561817 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -24.441
Base-Backbone interact. energy: -0.057
local terms energy: -52.418077
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -2.273
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: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -106.286285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.286285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.286285 (E_RNA)
where:
Base-Base interactions energy: -57.972
where: short stacking energy: -36.709
Base-Backbone interact. energy: -0.161
local terms energy: -48.153669
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.501
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: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -87.029053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029053 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -29.179
Base-Backbone interact. energy: 0.307
local terms energy: -45.068830
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -103.286320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.286320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.286320 (E_RNA)
where:
Base-Base interactions energy: -54.805
where: short stacking energy: -33.090
Base-Backbone interact. energy: 0.084
local terms energy: -48.565294
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -7.541
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -234.936154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.936154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.936154 (E_RNA)
where:
Base-Base interactions energy: -150.521
where: short stacking energy: -72.934
Base-Backbone interact. energy: -0.294
local terms energy: -84.120498
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -22.077
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -226.229839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.229839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.229839 (E_RNA)
where:
Base-Base interactions energy: -152.334
where: short stacking energy: -73.961
Base-Backbone interact. energy: -0.134
local terms energy: -73.761512
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -222.592670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.592670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.592670 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.172
local terms energy: -79.152941
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -214.842693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.842693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.842693 (E_RNA)
where:
Base-Base interactions energy: -152.047
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.111
local terms energy: -62.684413
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -204.119916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.119916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.119916 (E_RNA)
where:
Base-Base interactions energy: -137.280
where: short stacking energy: -64.004
Base-Backbone interact. energy: -0.060
local terms energy: -66.779461
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -180.736705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.736705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.736705 (E_RNA)
where:
Base-Base interactions energy: -122.929
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.072
local terms energy: -57.736043
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -92.058178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.058178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.058178 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -29.839
Base-Backbone interact. energy: 0.396
local terms energy: -56.178195
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -4.582
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: 236
Temperature: 1.250000
Total energy: -102.521558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521558 (E_RNA)
where:
Base-Base interactions energy: -54.349
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.287
local terms energy: -47.885651
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -12.617
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: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.430971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430971 (E_RNA)
where:
Base-Base interactions energy: -28.156
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.124
local terms energy: -52.150781
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.173
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: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -71.627039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.627039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.627039 (E_RNA)
where:
Base-Base interactions energy: -24.615
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.152
local terms energy: -46.860108
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -13.028
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: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -238.989059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.989059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.989059 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.291
local terms energy: -85.857697
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -231.320582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.320582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.320582 (E_RNA)
where:
Base-Base interactions energy: -157.096
where: short stacking energy: -75.598
Base-Backbone interact. energy: -0.024
local terms energy: -74.201086
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -217.590604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590604 (E_RNA)
where:
Base-Base interactions energy: -144.265
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.240
local terms energy: -73.085667
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -218.405822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.405822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.405822 (E_RNA)
where:
Base-Base interactions energy: -144.501
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.020
local terms energy: -73.884748
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -18.877
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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -203.131477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131477 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.001
local terms energy: -74.523191
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -179.949235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.949235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.949235 (E_RNA)
where:
Base-Base interactions energy: -116.474
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.326
local terms energy: -63.149484
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -110.649322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.649322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.649322 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.051
local terms energy: -64.497917
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -155.897133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.897133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.897133 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -43.075
Base-Backbone interact. energy: -0.124
local terms energy: -49.068238
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -94.624844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.624844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.624844 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -29.758
Base-Backbone interact. energy: 0.556
local terms energy: -62.251988
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -4.119
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: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -75.001687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.001687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.001687 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -31.380
Base-Backbone interact. energy: -0.312
local terms energy: -36.866290
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -8.095
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -237.422461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.422461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.422461 (E_RNA)
where:
Base-Base interactions energy: -159.205
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.239
local terms energy: -77.977885
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -19.356
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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -223.663970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663970 (E_RNA)
where:
Base-Base interactions energy: -143.257
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.367
local terms energy: -80.039992
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -21.452
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -225.821714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.821714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.821714 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.001
local terms energy: -76.950499
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -208.616779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.616779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.616779 (E_RNA)
where:
Base-Base interactions energy: -140.499
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.069
local terms energy: -68.048274
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.762
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: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -216.336793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.336793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.336793 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.591
local terms energy: -77.402318
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -171.747947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.747947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.747947 (E_RNA)
where:
Base-Base interactions energy: -122.460
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.091
local terms energy: -49.196627
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -6.430
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -12.166
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -148.207506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.207506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.207506 (E_RNA)
where:
Base-Base interactions energy: -99.107
where: short stacking energy: -39.087
Base-Backbone interact. energy: -0.555
local terms energy: -48.546160
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -8.758
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: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -123.600977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.600977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.600977 (E_RNA)
where:
Base-Base interactions energy: -70.850
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.407
local terms energy: -52.343567
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -81.695829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695829 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -28.220
Base-Backbone interact. energy: -0.079
local terms energy: -44.874374
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -85.508570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508570 (E_RNA)
where:
Base-Base interactions energy: -38.927
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.640
local terms energy: -45.941203
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -3.610
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: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -227.806739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.806739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.806739 (E_RNA)
where:
Base-Base interactions energy: -152.380
where: short stacking energy: -77.847
Base-Backbone interact. energy: -0.003
local terms energy: -75.423706
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -223.087090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.087090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.087090 (E_RNA)
where:
Base-Base interactions energy: -145.369
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.002
local terms energy: -77.715843
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -21.179
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -223.841457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841457 (E_RNA)
where:
Base-Base interactions energy: -151.487
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.123
local terms energy: -72.231073
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -210.498418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498418 (E_RNA)
where:
Base-Base interactions energy: -130.810
where: short stacking energy: -64.239
Base-Backbone interact. energy: 0.479
local terms energy: -80.167440
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.881
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -214.286602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286602 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.050
local terms energy: -75.537568
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -21.901
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -180.451714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.451714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.451714 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -63.261
Base-Backbone interact. energy: 0.894
local terms energy: -58.693349
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -2.502
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -106.871841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.871841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.871841 (E_RNA)
where:
Base-Base interactions energy: -52.068
where: short stacking energy: -30.143
Base-Backbone interact. energy: 0.786
local terms energy: -55.589665
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -127.455131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.455131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.455131 (E_RNA)
where:
Base-Base interactions energy: -77.281
where: short stacking energy: -40.444
Base-Backbone interact. energy: -0.144
local terms energy: -50.029971
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -5.456
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: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -79.914528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.914528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.914528 (E_RNA)
where:
Base-Base interactions energy: -31.978
where: short stacking energy: -21.129
Base-Backbone interact. energy: -0.177
local terms energy: -47.759573
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -79.600762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600762 (E_RNA)
where:
Base-Base interactions energy: -28.225
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.799
local terms energy: -50.576390
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -5.406
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: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -226.926949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.926949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.926949 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.128
local terms energy: -78.433799
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -226.985583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.985583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.985583 (E_RNA)
where:
Base-Base interactions energy: -147.988
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.858
local terms energy: -78.139568
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -219.545493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.545493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.545493 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.001
local terms energy: -78.640000
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -215.877496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.877496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.877496 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -61.070
Base-Backbone interact. energy: -1.687
local terms energy: -74.261136
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -215.310132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310132 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.169
local terms energy: -76.698503
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -190.928943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.928943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.928943 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -61.919
Base-Backbone interact. energy: 0.907
local terms energy: -66.898272
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.378
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: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -136.954428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.954428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.954428 (E_RNA)
where:
Base-Base interactions energy: -80.127
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.247
local terms energy: -56.580058
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -78.836445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836445 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.133
local terms energy: -48.003876
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -79.350348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.350348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.350348 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.058
local terms energy: -46.240354
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -6.315
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -91.985037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.985037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.985037 (E_RNA)
where:
Base-Base interactions energy: -29.282
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.100
local terms energy: -62.602779
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -15.321
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: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -226.978954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.978954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.978954 (E_RNA)
where:
Base-Base interactions energy: -145.214
where: short stacking energy: -76.560
Base-Backbone interact. energy: -0.003
local terms energy: -81.761757
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -222.128284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.128284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.128284 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -77.189
Base-Backbone interact. energy: -0.010
local terms energy: -83.612932
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -23.695
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: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -223.249748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.249748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.249748 (E_RNA)
where:
Base-Base interactions energy: -147.610
where: short stacking energy: -71.831
Base-Backbone interact. energy: -0.612
local terms energy: -75.027973
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -215.130273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.130273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.130273 (E_RNA)
where:
Base-Base interactions energy: -138.164
where: short stacking energy: -70.349
Base-Backbone interact. energy: 0.662
local terms energy: -77.627893
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -213.515736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.515736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.515736 (E_RNA)
where:
Base-Base interactions energy: -139.074
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.044
local terms energy: -74.397904
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -185.913720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.913720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.913720 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -54.239
Base-Backbone interact. energy: 1.665
local terms energy: -64.273400
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -138.351297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.351297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.351297 (E_RNA)
where:
Base-Base interactions energy: -73.723
where: short stacking energy: -43.133
Base-Backbone interact. energy: -0.314
local terms energy: -64.314025
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -77.518536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.518536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.518536 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -27.901
Base-Backbone interact. energy: 0.475
local terms energy: -38.379062
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: 4.072
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: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -87.496282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496282 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.092
local terms energy: -52.169413
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.610279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.610279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.610279 (E_RNA)
where:
Base-Base interactions energy: -33.217
where: short stacking energy: -25.544
Base-Backbone interact. energy: 0.252
local terms energy: -49.645340
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -0.986
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: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -220.217045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.217045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.217045 (E_RNA)
where:
Base-Base interactions energy: -135.931
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.634
local terms energy: -83.652610
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -219.329561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329561 (E_RNA)
where:
Base-Base interactions energy: -142.981
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.156
local terms energy: -76.192388
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -221.763116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.763116 (E_RNA)
where:
Base-Base interactions energy: -144.573
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.099
local terms energy: -77.091841
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -213.548175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.548175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.548175 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -69.659
Base-Backbone interact. energy: 0.223
local terms energy: -69.176016
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -20.308
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: 242
Temperature: 1.100000
Total energy: -187.737733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.737733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.737733 (E_RNA)
where:
Base-Base interactions energy: -125.568
where: short stacking energy: -52.402
Base-Backbone interact. energy: 0.708
local terms energy: -62.878246
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -216.933596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.933596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.933596 (E_RNA)
where:
Base-Base interactions energy: -141.363
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.179
local terms energy: -75.391845
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -22.923
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -140.619578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.619578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.619578 (E_RNA)
where:
Base-Base interactions energy: -77.039
where: short stacking energy: -39.977
Base-Backbone interact. energy: -0.157
local terms energy: -63.423526
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -98.888890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.888890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.888890 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.026
local terms energy: -61.356088
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -88.095579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095579 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.022
local terms energy: -53.709268
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -87.899896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899896 (E_RNA)
where:
Base-Base interactions energy: -43.085
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.292
local terms energy: -44.523084
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -2.701
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -226.248671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.248671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.248671 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.143
local terms energy: -76.441450
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -10.357
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: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -209.653861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.653861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.653861 (E_RNA)
where:
Base-Base interactions energy: -136.613
where: short stacking energy: -71.273
Base-Backbone interact. energy: -0.520
local terms energy: -72.521341
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -215.081099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.081099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.081099 (E_RNA)
where:
Base-Base interactions energy: -148.860
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.004
local terms energy: -66.217379
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -196.357950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.357950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.357950 (E_RNA)
where:
Base-Base interactions energy: -122.417
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.001
local terms energy: -73.940548
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.518
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: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -209.816232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.816232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816232 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -65.379
Base-Backbone interact. energy: -1.656
local terms energy: -67.293344
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -194.120708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120708 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.063
local terms energy: -66.018067
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -130.020358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.020358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.020358 (E_RNA)
where:
Base-Base interactions energy: -73.575
where: short stacking energy: -43.655
Base-Backbone interact. energy: -0.282
local terms energy: -56.162518
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -9.957
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: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.038926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038926 (E_RNA)
where:
Base-Base interactions energy: -31.474
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.179
local terms energy: -51.385714
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -94.099311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099311 (E_RNA)
where:
Base-Base interactions energy: -39.563
where: short stacking energy: -39.563
Base-Backbone interact. energy: 0.150
local terms energy: -54.686614
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -8.000
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: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -85.714774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714774 (E_RNA)
where:
Base-Base interactions energy: -31.691
where: short stacking energy: -26.588
Base-Backbone interact. energy: -0.126
local terms energy: -53.898641
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -1.981
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: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -229.650290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.650290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.650290 (E_RNA)
where:
Base-Base interactions energy: -150.785
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.098
local terms energy: -78.767984
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -203.995806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995806 (E_RNA)
where:
Base-Base interactions energy: -128.775
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.847
local terms energy: -74.373281
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -227.121528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.121528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.121528 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.001
local terms energy: -77.137765
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -22.699
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: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -190.199887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199887 (E_RNA)
where:
Base-Base interactions energy: -120.691
where: short stacking energy: -47.087
Base-Backbone interact. energy: -1.591
local terms energy: -67.918652
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -11.305
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: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -208.305632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.305632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.305632 (E_RNA)
where:
Base-Base interactions energy: -135.091
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.002
local terms energy: -73.213412
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -195.865497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.865497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.865497 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.002
local terms energy: -69.269777
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.053
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: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -160.446345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.446345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.446345 (E_RNA)
where:
Base-Base interactions energy: -104.640
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.157
local terms energy: -55.649523
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.110
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: 244
Temperature: 1.250000
Total energy: -79.621833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.621833 (E_RNA)
where:
Base-Base interactions energy: -35.579
where: short stacking energy: -12.464
Base-Backbone interact. energy: -0.623
local terms energy: -43.419495
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.780779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780779 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: 0.231
local terms energy: -51.741575
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.880
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: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -75.904125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.904125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.904125 (E_RNA)
where:
Base-Base interactions energy: -26.581
where: short stacking energy: -17.652
Base-Backbone interact. energy: -0.786
local terms energy: -48.537571
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.608
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -227.081001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.081001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.081001 (E_RNA)
where:
Base-Base interactions energy: -154.849
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.004
local terms energy: -72.228080
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -216.894650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.894650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.894650 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.466
local terms energy: -74.542590
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -207.209598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.209598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.209598 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -66.755
Base-Backbone interact. energy: -1.122
local terms energy: -69.640266
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -14.681
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: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -217.899494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899494 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -70.486
Base-Backbone interact. energy: -0.013
local terms energy: -81.906698
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -187.731714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.731714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.731714 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -47.485
Base-Backbone interact. energy: -0.007
local terms energy: -56.983491
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -152.451775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.451775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.451775 (E_RNA)
where:
Base-Base interactions energy: -84.995
where: short stacking energy: -52.062
Base-Backbone interact. energy: -0.648
local terms energy: -66.809039
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -139.429066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.429066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.429066 (E_RNA)
where:
Base-Base interactions energy: -87.907
where: short stacking energy: -46.629
Base-Backbone interact. energy: -1.311
local terms energy: -50.211026
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -4.323
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -94.382498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.382498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.382498 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -24.614
Base-Backbone interact. energy: 0.022
local terms energy: -56.395107
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -77.964614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.964614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.964614 (E_RNA)
where:
Base-Base interactions energy: -24.998
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.114
local terms energy: -52.852334
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -83.655644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655644 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.248
local terms energy: -49.777151
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -6.939
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: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -223.184141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.184141 (E_RNA)
where:
Base-Base interactions energy: -153.181
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.057
local terms energy: -69.946048
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -228.611709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.611709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.611709 (E_RNA)
where:
Base-Base interactions energy: -147.565
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.003
local terms energy: -81.043842
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -220.838684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.838684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.838684 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -72.748
Base-Backbone interact. energy: -0.000
local terms energy: -73.665851
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -194.353059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.353059 (E_RNA)
where:
Base-Base interactions energy: -133.962
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.413
local terms energy: -59.977376
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -158.306939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.306939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.306939 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -42.049
Base-Backbone interact. energy: -0.106
local terms energy: -55.155020
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -8.330
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -181.229040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.229040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.229040 (E_RNA)
where:
Base-Base interactions energy: -108.237
where: short stacking energy: -49.141
Base-Backbone interact. energy: -0.091
local terms energy: -72.901408
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.846
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: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -98.520325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.520325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.520325 (E_RNA)
where:
Base-Base interactions energy: -48.773
where: short stacking energy: -20.924
Base-Backbone interact. energy: -0.539
local terms energy: -49.208871
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: 1.542
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: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -129.297116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.297116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.297116 (E_RNA)
where:
Base-Base interactions energy: -73.836
where: short stacking energy: -39.077
Base-Backbone interact. energy: 0.400
local terms energy: -55.861220
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -83.313669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.313669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.313669 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -28.173
Base-Backbone interact. energy: -0.157
local terms energy: -53.440226
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -84.538799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.538799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.538799 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -25.199
Base-Backbone interact. energy: 1.567
local terms energy: -49.146577
where:
bonds (distance) C4'-P energy: -7.322
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -228.876847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.876847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.876847 (E_RNA)
where:
Base-Base interactions energy: -151.881
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.182
local terms energy: -76.813535
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -21.952
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: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -225.516830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.516830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.516830 (E_RNA)
where:
Base-Base interactions energy: -154.090
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.597
local terms energy: -70.829636
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -218.542390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.542390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.542390 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.522
local terms energy: -76.013755
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -191.064252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.064252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.064252 (E_RNA)
where:
Base-Base interactions energy: -124.585
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.103
local terms energy: -66.376663
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.636
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -187.841498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.841498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.841498 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -46.182
Base-Backbone interact. energy: -0.110
local terms energy: -58.612033
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -4.081
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -114.084594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.084594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.084594 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.018
local terms energy: -61.450530
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -167.289636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.289636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.289636 (E_RNA)
where:
Base-Base interactions energy: -105.998
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.189
local terms energy: -61.102842
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -128.070276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.070276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.070276 (E_RNA)
where:
Base-Base interactions energy: -73.462
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.777
local terms energy: -53.830963
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -87.803459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.803459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.803459 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -35.818
Base-Backbone interact. energy: 0.212
local terms energy: -48.106345
where:
bonds (distance) C4'-P energy: -6.539
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -82.962385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.962385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.962385 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.271
local terms energy: -49.373286
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -7.039
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.756
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: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -229.704483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.704483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.704483 (E_RNA)
where:
Base-Base interactions energy: -149.996
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.004
local terms energy: -79.704704
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -21.289
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: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -219.144173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.144173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.144173 (E_RNA)
where:
Base-Base interactions energy: -143.439
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.002
local terms energy: -75.704023
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -21.681
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -199.147831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147831 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.044
local terms energy: -68.142982
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -216.563805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.563805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.563805 (E_RNA)
where:
Base-Base interactions energy: -139.489
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.330
local terms energy: -76.744664
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -224.931402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.931402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.931402 (E_RNA)
where:
Base-Base interactions energy: -146.802
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.119
local terms energy: -78.010931
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -95.195140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195140 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.014
local terms energy: -62.584835
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -127.824598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.824598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.824598 (E_RNA)
where:
Base-Base interactions energy: -71.439
where: short stacking energy: -41.505
Base-Backbone interact. energy: -0.284
local terms energy: -56.100934
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -145.630399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.630399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.630399 (E_RNA)
where:
Base-Base interactions energy: -89.736
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.140
local terms energy: -55.754121
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.962
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: 248
Temperature: 1.300000
Total energy: -85.465078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465078 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -41.332
Base-Backbone interact. energy: -0.067
local terms energy: -44.066148
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -70.328352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.328352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.328352 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.147
local terms energy: -39.881235
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -4.436
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -226.576747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.576747 (E_RNA)
where:
Base-Base interactions energy: -147.722
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.000
local terms energy: -78.854156
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -214.766675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.766675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766675 (E_RNA)
where:
Base-Base interactions energy: -142.195
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.605
local terms energy: -71.966387
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -216.963765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963765 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.774
local terms energy: -71.347981
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -218.828426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.828426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.828426 (E_RNA)
where:
Base-Base interactions energy: -141.393
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.132
local terms energy: -77.303100
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -212.792982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.792982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.792982 (E_RNA)
where:
Base-Base interactions energy: -131.876
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.400
local terms energy: -81.317297
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -19.127
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: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -147.162296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.162296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.162296 (E_RNA)
where:
Base-Base interactions energy: -81.110
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.326
local terms energy: -65.725491
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.283
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: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -96.413280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.413280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.413280 (E_RNA)
where:
Base-Base interactions energy: -38.814
where: short stacking energy: -37.622
Base-Backbone interact. energy: -0.469
local terms energy: -57.129558
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -4.616
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: 249
Temperature: 1.250000
Total energy: -101.261902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.261902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.261902 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -38.077
Base-Backbone interact. energy: -0.119
local terms energy: -50.033489
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -8.373
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: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -117.303291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.303291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.303291 (E_RNA)
where:
Base-Base interactions energy: -72.364
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.265
local terms energy: -44.673788
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -69.357615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.357615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.357615 (E_RNA)
where:
Base-Base interactions energy: -18.143
where: short stacking energy: -18.143
Base-Backbone interact. energy: -1.083
local terms energy: -50.131672
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -233.137967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.137967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.137967 (E_RNA)
where:
Base-Base interactions energy: -157.838
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.075
local terms energy: -75.225653
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -220.119305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.119305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.119305 (E_RNA)
where:
Base-Base interactions energy: -140.097
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.576
local terms energy: -79.446642
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -215.613928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.613928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.613928 (E_RNA)
where:
Base-Base interactions energy: -135.283
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.156
local terms energy: -80.174501
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -217.265769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.265769 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.900
local terms energy: -75.712362
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -212.320304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.320304 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -56.954
Base-Backbone interact. energy: 0.500
local terms energy: -72.281677
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.448
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: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -140.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.540315 (E_RNA)
where:
Base-Base interactions energy: -83.509
where: short stacking energy: -45.067
Base-Backbone interact. energy: -1.988
local terms energy: -55.043059
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -8.518
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: 250
Temperature: 1.200000
Total energy: -89.204256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.204256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.204256 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.050
local terms energy: -57.420048
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -100.836635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.836635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.836635 (E_RNA)
where:
Base-Base interactions energy: -47.399
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.614
local terms energy: -52.823286
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -3.212
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -78.850821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850821 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -23.856
Base-Backbone interact. energy: -0.080
local terms energy: -52.815517
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -148.629379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.629379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.629379 (E_RNA)
where:
Base-Base interactions energy: -94.233
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.328
local terms energy: -54.068630
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -6.136
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: 251
Temperature: 0.900000
Total energy: -235.238846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.238846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.238846 (E_RNA)
where:
Base-Base interactions energy: -154.850
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.007
local terms energy: -80.381543
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -224.581041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.581041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.581041 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.001
local terms energy: -76.405775
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -213.361736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.361736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.361736 (E_RNA)
where:
Base-Base interactions energy: -134.616
where: short stacking energy: -75.357
Base-Backbone interact. energy: -0.251
local terms energy: -78.495278
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -191.832690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.832690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.832690 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.059
local terms energy: -68.160765
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -208.112243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.112243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.112243 (E_RNA)
where:
Base-Base interactions energy: -133.298
where: short stacking energy: -63.509
Base-Backbone interact. energy: -0.042
local terms energy: -74.772215
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.889
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: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -138.084041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.084041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.084041 (E_RNA)
where:
Base-Base interactions energy: -74.359
where: short stacking energy: -43.242
Base-Backbone interact. energy: -0.119
local terms energy: -63.605894
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -91.035365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.035365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.035365 (E_RNA)
where:
Base-Base interactions energy: -37.782
where: short stacking energy: -36.719
Base-Backbone interact. energy: -0.196
local terms energy: -53.057103
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -10.374
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: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -104.715906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.715906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.715906 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.015
local terms energy: -54.683533
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -83.704242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.704242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.704242 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.174
local terms energy: -49.406120
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -146.922301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.922301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.922301 (E_RNA)
where:
Base-Base interactions energy: -100.213
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.203
local terms energy: -46.506384
where:
bonds (distance) C4'-P energy: -3.631
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -231.476022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476022 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.290
local terms energy: -81.866637
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -225.999235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.999235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.999235 (E_RNA)
where:
Base-Base interactions energy: -152.979
where: short stacking energy: -68.492
Base-Backbone interact. energy: -0.003
local terms energy: -73.017534
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -207.261763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261763 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.018
local terms energy: -70.368454
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -207.174144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.174144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.174144 (E_RNA)
where:
Base-Base interactions energy: -132.536
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.414
local terms energy: -74.223473
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -206.029475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.029475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.029475 (E_RNA)
where:
Base-Base interactions energy: -131.534
where: short stacking energy: -63.946
Base-Backbone interact. energy: -0.296
local terms energy: -74.199566
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.688
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: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -114.117198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.117198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.117198 (E_RNA)
where:
Base-Base interactions energy: -54.251
where: short stacking energy: -30.632
Base-Backbone interact. energy: -0.630
local terms energy: -59.236295
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -87.011712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011712 (E_RNA)
where:
Base-Base interactions energy: -44.863
where: short stacking energy: -42.942
Base-Backbone interact. energy: 3.220
local terms energy: -45.369203
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -5.150
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: 252
Temperature: 1.250000
Total energy: -94.798535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798535 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.001
local terms energy: -57.913368
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -100.999976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.999976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.999976 (E_RNA)
where:
Base-Base interactions energy: -48.889
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.113
local terms energy: -51.998874
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -76.810300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.810300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.810300 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.063
local terms energy: -45.935600
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -227.428230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.428230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.428230 (E_RNA)
where:
Base-Base interactions energy: -148.945
where: short stacking energy: -76.882
Base-Backbone interact. energy: -0.004
local terms energy: -78.478657
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -12.140
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: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -236.323891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.323891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.323891 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.027
local terms energy: -82.018601
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -221.383449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.383449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.383449 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.177
local terms energy: -71.480550
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.243
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: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -215.908743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.908743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.908743 (E_RNA)
where:
Base-Base interactions energy: -146.370
where: short stacking energy: -78.535
Base-Backbone interact. energy: -0.002
local terms energy: -69.537059
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -21.654
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: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -207.408614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408614 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.004
local terms energy: -71.364238
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -18.006
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -108.998063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.998063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.998063 (E_RNA)
where:
Base-Base interactions energy: -60.985
where: short stacking energy: -36.960
Base-Backbone interact. energy: 0.162
local terms energy: -48.175385
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -3.148
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -90.811052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811052 (E_RNA)
where:
Base-Base interactions energy: -41.001
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.126
local terms energy: -49.684413
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.135
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: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -130.755171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.755171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.755171 (E_RNA)
where:
Base-Base interactions energy: -75.942
where: short stacking energy: -43.299
Base-Backbone interact. energy: -0.385
local terms energy: -54.427390
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -5.108
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -82.019500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019500 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -30.704
Base-Backbone interact. energy: -0.023
local terms energy: -50.634821
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -75.807797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.807797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.807797 (E_RNA)
where:
Base-Base interactions energy: -25.857
where: short stacking energy: -25.957
Base-Backbone interact. energy: -0.132
local terms energy: -49.818860
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -228.996964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.996964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.996964 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.703
local terms energy: -80.298648
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -227.248713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248713 (E_RNA)
where:
Base-Base interactions energy: -149.430
where: short stacking energy: -74.873
Base-Backbone interact. energy: -0.019
local terms energy: -77.799079
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -225.006276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.006276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.006276 (E_RNA)
where:
Base-Base interactions energy: -144.571
where: short stacking energy: -68.555
Base-Backbone interact. energy: 0.056
local terms energy: -80.491360
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -19.137
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: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -223.394097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.394097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.394097 (E_RNA)
where:
Base-Base interactions energy: -148.144
where: short stacking energy: -73.467
Base-Backbone interact. energy: -0.004
local terms energy: -75.246612
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -20.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -211.562723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.562723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.562723 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.002
local terms energy: -71.739202
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.481
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: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -115.176723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.176723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.176723 (E_RNA)
where:
Base-Base interactions energy: -58.159
where: short stacking energy: -37.549
Base-Backbone interact. energy: -0.277
local terms energy: -56.740897
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -134.552748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.552748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.552748 (E_RNA)
where:
Base-Base interactions energy: -72.801
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.383
local terms energy: -61.368391
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -89.796215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796215 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.101
local terms energy: -57.490607
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -7.982
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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -87.864457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864457 (E_RNA)
where:
Base-Base interactions energy: -38.352
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.091
local terms energy: -49.421822
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -84.428064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428064 (E_RNA)
where:
Base-Base interactions energy: -29.061
where: short stacking energy: -29.061
Base-Backbone interact. energy: -0.069
local terms energy: -55.298562
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -232.226030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.226030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.226030 (E_RNA)
where:
Base-Base interactions energy: -159.616
where: short stacking energy: -68.897
Base-Backbone interact. energy: -0.161
local terms energy: -72.449258
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.204
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -223.755643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.755643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.755643 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -73.026
Base-Backbone interact. energy: 0.211
local terms energy: -82.792542
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -221.159780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.159780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.159780 (E_RNA)
where:
Base-Base interactions energy: -148.278
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.019
local terms energy: -72.861998
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -192.405403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.405403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405403 (E_RNA)
where:
Base-Base interactions energy: -123.727
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.484
local terms energy: -68.194343
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -219.464173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.464173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.464173 (E_RNA)
where:
Base-Base interactions energy: -147.479
where: short stacking energy: -71.170
Base-Backbone interact. energy: -0.041
local terms energy: -71.943707
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -8.350
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -148.661892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.661892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.661892 (E_RNA)
where:
Base-Base interactions energy: -83.522
where: short stacking energy: -47.433
Base-Backbone interact. energy: -0.038
local terms energy: -65.102350
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -84.019968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019968 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.103
local terms energy: -53.215274
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -9.797
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: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -87.112348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.112348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.112348 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -25.969
Base-Backbone interact. energy: -0.195
local terms energy: -50.381452
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -4.409
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: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -83.649268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649268 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -23.088
Base-Backbone interact. energy: -0.379
local terms energy: -45.087773
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -82.676485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.676485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.676485 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -32.939
Base-Backbone interact. energy: 1.125
local terms energy: -50.863082
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -229.700741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.700741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.700741 (E_RNA)
where:
Base-Base interactions energy: -151.621
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.028
local terms energy: -78.051963
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -224.708869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.708869 (E_RNA)
where:
Base-Base interactions energy: -150.032
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.070
local terms energy: -74.607407
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -223.603192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.603192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.603192 (E_RNA)
where:
Base-Base interactions energy: -146.994
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.004
local terms energy: -76.604717
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -188.936747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.936747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.936747 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.013
local terms energy: -64.458726
where:
bonds (distance) C4'-P energy: -7.774
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -15.596
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -210.590541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.590541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.590541 (E_RNA)
where:
Base-Base interactions energy: -135.131
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.047
local terms energy: -75.412455
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -103.605397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.605397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.605397 (E_RNA)
where:
Base-Base interactions energy: -53.994
where: short stacking energy: -47.723
Base-Backbone interact. energy: -0.284
local terms energy: -49.327772
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -99.872385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.872385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.872385 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -22.911
Base-Backbone interact. energy: -1.101
local terms energy: -54.210299
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.313
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: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -81.212529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212529 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.129
local terms energy: -58.045589
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -77.775658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775658 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -20.740
Base-Backbone interact. energy: 1.004
local terms energy: -45.063432
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -87.882681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882681 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -21.256
Base-Backbone interact. energy: 0.009
local terms energy: -54.693050
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -222.629692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.629692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.629692 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.004
local terms energy: -76.400823
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -215.815297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.815297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.815297 (E_RNA)
where:
Base-Base interactions energy: -137.057
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.004
local terms energy: -78.754184
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -226.164607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.164607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.164607 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.000
local terms energy: -76.798065
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -22.014
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -212.175858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.175858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.175858 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.070
local terms energy: -73.521528
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -201.462625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.462625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462625 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.725
local terms energy: -72.996946
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -117.703676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.703676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.703676 (E_RNA)
where:
Base-Base interactions energy: -64.496
where: short stacking energy: -39.186
Base-Backbone interact. energy: -0.125
local terms energy: -53.083178
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -104.378857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.378857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.378857 (E_RNA)
where:
Base-Base interactions energy: -46.595
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.076
local terms energy: -57.707135
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -9.649
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -9.873
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: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -84.619272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.619272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.619272 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.016
local terms energy: -54.319454
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -90.360978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.360978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.360978 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -23.438
Base-Backbone interact. energy: -0.481
local terms energy: -58.134683
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -76.796098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.796098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.796098 (E_RNA)
where:
Base-Base interactions energy: -24.931
where: short stacking energy: -21.623
Base-Backbone interact. energy: 0.553
local terms energy: -52.418078
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -239.730798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.730798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.730798 (E_RNA)
where:
Base-Base interactions energy: -155.974
where: short stacking energy: -81.168
Base-Backbone interact. energy: -0.003
local terms energy: -83.753993
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -223.487065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487065 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.010
local terms energy: -73.112596
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -21.817
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: 258
Temperature: 1.000000
Total energy: -226.572161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.572161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.572161 (E_RNA)
where:
Base-Base interactions energy: -151.923
where: short stacking energy: -70.329
Base-Backbone interact. energy: -0.290
local terms energy: -74.358754
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -215.528344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.528344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.528344 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.027
local terms energy: -77.239866
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -216.733553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.733553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.733553 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.001
local terms energy: -77.569408
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -22.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -108.034611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.034611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.034611 (E_RNA)
where:
Base-Base interactions energy: -53.847
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.009
local terms energy: -54.178731
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -97.668954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.668954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.668954 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.287
local terms energy: -62.319350
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -90.673416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673416 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -31.969
Base-Backbone interact. energy: 0.395
local terms energy: -51.174545
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -14.465
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: 258
Temperature: 1.300000
Total energy: -86.864001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.864001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.864001 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -33.026
Base-Backbone interact. energy: -0.190
local terms energy: -53.647580
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -76.879803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879803 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -18.999
Base-Backbone interact. energy: 0.374
local terms energy: -42.435539
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: 3.552
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: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -230.998688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.998688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.998688 (E_RNA)
where:
Base-Base interactions energy: -155.561
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.013
local terms energy: -75.425281
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -225.281096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.281096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281096 (E_RNA)
where:
Base-Base interactions energy: -148.815
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.001
local terms energy: -76.464426
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -22.809
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -214.617153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.617153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.617153 (E_RNA)
where:
Base-Base interactions energy: -139.366
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.196
local terms energy: -75.055263
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -212.436276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.436276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.436276 (E_RNA)
where:
Base-Base interactions energy: -136.614
where: short stacking energy: -70.425
Base-Backbone interact. energy: 0.282
local terms energy: -76.104225
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -19.463
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -205.293061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.293061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.293061 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.015
local terms energy: -71.346615
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -15.022
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: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -96.223494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.223494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.223494 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.087
local terms energy: -57.046139
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -86.114528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.114528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.114528 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -31.654
Base-Backbone interact. energy: -1.201
local terms energy: -52.956999
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.901
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: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -87.599562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599562 (E_RNA)
where:
Base-Base interactions energy: -39.710
where: short stacking energy: -23.797
Base-Backbone interact. energy: -0.435
local terms energy: -47.455208
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -84.220495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220495 (E_RNA)
where:
Base-Base interactions energy: -39.970
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.290
local terms energy: -43.960717
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -81.547543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547543 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -18.133
Base-Backbone interact. energy: -0.251
local terms energy: -43.330838
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: 1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -226.894932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.894932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.894932 (E_RNA)
where:
Base-Base interactions energy: -151.300
where: short stacking energy: -75.725
Base-Backbone interact. energy: -0.092
local terms energy: -75.503092
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -22.050
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: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -223.130502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.130502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.130502 (E_RNA)
where:
Base-Base interactions energy: -147.120
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.000
local terms energy: -76.010415
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -218.198210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.198210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.198210 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -67.141
Base-Backbone interact. energy: -0.024
local terms energy: -73.528514
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -205.585608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585608 (E_RNA)
where:
Base-Base interactions energy: -139.429
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.044
local terms energy: -66.112945
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -197.100494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.100494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.100494 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.097
local terms energy: -63.779870
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -4.397
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: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -96.766536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.766536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.766536 (E_RNA)
where:
Base-Base interactions energy: -43.450
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.123
local terms energy: -53.192987
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -9.428
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -85.162640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162640 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.391
local terms energy: -53.426314
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -89.722138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722138 (E_RNA)
where:
Base-Base interactions energy: -39.317
where: short stacking energy: -21.040
Base-Backbone interact. energy: -0.807
local terms energy: -49.597384
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -7.764
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -2.410
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: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -84.102318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102318 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -20.690
Base-Backbone interact. energy: -0.357
local terms energy: -42.059237
where:
bonds (distance) C4'-P energy: -6.146
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.723348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723348 (E_RNA)
where:
Base-Base interactions energy: -26.261
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.046
local terms energy: -54.416530
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -234.653401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.653401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.653401 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.002
local terms energy: -82.195674
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -224.561918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561918 (E_RNA)
where:
Base-Base interactions energy: -148.865
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.001
local terms energy: -75.695900
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -219.364091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364091 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.101
local terms energy: -70.801595
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -12.426
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -219.044940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.044940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.044940 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.134
local terms energy: -74.143969
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -20.810
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: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -183.133210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.133210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.133210 (E_RNA)
where:
Base-Base interactions energy: -115.275
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.925
local terms energy: -66.933700
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -88.832856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.832856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.832856 (E_RNA)
where:
Base-Base interactions energy: -40.754
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.736
local terms energy: -47.342765
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -8.562
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: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -92.301511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.301511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.301511 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.014
local terms energy: -58.232595
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -87.944218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944218 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -27.161
Base-Backbone interact. energy: -0.036
local terms energy: -47.150543
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -82.887519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887519 (E_RNA)
where:
Base-Base interactions energy: -37.991
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.139
local terms energy: -44.757875
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -78.809016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.809016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.809016 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.203
local terms energy: -49.255527
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -234.645185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.645185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.645185 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -76.325
Base-Backbone interact. energy: 0.355
local terms energy: -74.807524
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -227.230050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.230050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.230050 (E_RNA)
where:
Base-Base interactions energy: -149.913
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.003
local terms energy: -77.314003
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -215.333455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.333455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.333455 (E_RNA)
where:
Base-Base interactions energy: -139.454
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.004
local terms energy: -75.875869
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -215.113875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.113875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.113875 (E_RNA)
where:
Base-Base interactions energy: -148.792
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.010
local terms energy: -66.311626
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -199.677251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.677251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.677251 (E_RNA)
where:
Base-Base interactions energy: -127.116
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.061
local terms energy: -72.500614
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.917
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: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -108.501990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.501990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.501990 (E_RNA)
where:
Base-Base interactions energy: -42.795
where: short stacking energy: -38.879
Base-Backbone interact. energy: 1.464
local terms energy: -67.170620
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -144.604402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.604402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.604402 (E_RNA)
where:
Base-Base interactions energy: -86.148
where: short stacking energy: -46.952
Base-Backbone interact. energy: -0.499
local terms energy: -57.957520
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.584
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: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -84.774874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.774874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.774874 (E_RNA)
where:
Base-Base interactions energy: -45.241
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.073
local terms energy: -39.461568
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -6.473
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: 262
Temperature: 1.300000
Total energy: -84.640943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.640943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.640943 (E_RNA)
where:
Base-Base interactions energy: -40.074
where: short stacking energy: -26.076
Base-Backbone interact. energy: -0.085
local terms energy: -44.481701
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: 2.774
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -81.747026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.747026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.747026 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -26.109
Base-Backbone interact. energy: -0.192
local terms energy: -44.895614
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -6.844
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: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -234.657476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.657476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.657476 (E_RNA)
where:
Base-Base interactions energy: -154.700
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.268
local terms energy: -79.689427
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -226.359875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.359875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.359875 (E_RNA)
where:
Base-Base interactions energy: -148.300
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.665
local terms energy: -77.395178
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -221.275175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.275175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275175 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.298
local terms energy: -72.401003
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.052
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -213.497765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.497765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.497765 (E_RNA)
where:
Base-Base interactions energy: -139.555
where: short stacking energy: -61.131
Base-Backbone interact. energy: 0.041
local terms energy: -73.983930
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -212.986217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.986217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.986217 (E_RNA)
where:
Base-Base interactions energy: -141.004
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.043
local terms energy: -71.939620
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -22.317
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: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -159.584467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.584467 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -52.792
Base-Backbone interact. energy: 2.359
local terms energy: -64.560614
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -104.156410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.156410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.156410 (E_RNA)
where:
Base-Base interactions energy: -49.713
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.587
local terms energy: -53.856468
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -7.665
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: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -87.840429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.840429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.840429 (E_RNA)
where:
Base-Base interactions energy: -38.128
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.029
local terms energy: -49.683169
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -2.660
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: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -85.856232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.856232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.856232 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -19.284
Base-Backbone interact. energy: -0.118
local terms energy: -57.815778
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -90.316538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.316538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.316538 (E_RNA)
where:
Base-Base interactions energy: -52.743
where: short stacking energy: -18.742
Base-Backbone interact. energy: -0.355
local terms energy: -37.218276
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -4.998
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -243.309763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.309763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.309763 (E_RNA)
where:
Base-Base interactions energy: -162.086
where: short stacking energy: -83.305
Base-Backbone interact. energy: -0.003
local terms energy: -81.219969
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -221.119292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.119292 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.357
local terms energy: -82.826035
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -21.265
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -211.466261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.466261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.466261 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.941
local terms energy: -70.363908
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -222.082646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.082646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.082646 (E_RNA)
where:
Base-Base interactions energy: -142.250
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.374
local terms energy: -79.458080
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -217.172817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.172817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.172817 (E_RNA)
where:
Base-Base interactions energy: -143.653
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.038
local terms energy: -73.481426
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -148.880690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.880690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.880690 (E_RNA)
where:
Base-Base interactions energy: -94.498
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.189
local terms energy: -54.193807
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -97.275103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275103 (E_RNA)
where:
Base-Base interactions energy: -45.188
where: short stacking energy: -35.542
Base-Backbone interact. energy: -0.204
local terms energy: -51.883503
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -87.187151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.187151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.187151 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.028
local terms energy: -47.889248
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -5.206
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -6.721
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -102.892968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.892968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.892968 (E_RNA)
where:
Base-Base interactions energy: -53.838
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.017
local terms energy: -49.038406
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.988493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.988493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.988493 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -25.377
Base-Backbone interact. energy: -1.189
local terms energy: -50.365050
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -0.117
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: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -236.729824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.729824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.729824 (E_RNA)
where:
Base-Base interactions energy: -152.378
where: short stacking energy: -79.832
Base-Backbone interact. energy: -0.453
local terms energy: -83.898809
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -220.044671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.044671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.044671 (E_RNA)
where:
Base-Base interactions energy: -146.597
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.117
local terms energy: -73.330471
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -20.338
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: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -219.292986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.292986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.292986 (E_RNA)
where:
Base-Base interactions energy: -149.455
where: short stacking energy: -69.642
Base-Backbone interact. energy: -0.144
local terms energy: -69.694017
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -218.719113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.719113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.719113 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.048
local terms energy: -75.673029
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -195.576763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.576763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.576763 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.613
local terms energy: -67.800225
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -13.928
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: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -136.631321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.631321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.631321 (E_RNA)
where:
Base-Base interactions energy: -82.144
where: short stacking energy: -36.222
Base-Backbone interact. energy: 0.905
local terms energy: -55.392546
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.674
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: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -104.359354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.359354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.359354 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.102
local terms energy: -62.104580
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -93.383955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383955 (E_RNA)
where:
Base-Base interactions energy: -50.004
where: short stacking energy: -26.583
Base-Backbone interact. energy: -0.044
local terms energy: -43.336400
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -0.648
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -76.471298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.471298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.471298 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.715
local terms energy: -45.567959
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -92.179920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179920 (E_RNA)
where:
Base-Base interactions energy: -38.899
where: short stacking energy: -20.675
Base-Backbone interact. energy: -0.346
local terms energy: -52.934844
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -228.474523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.474523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.474523 (E_RNA)
where:
Base-Base interactions energy: -149.645
where: short stacking energy: -74.292
Base-Backbone interact. energy: 0.068
local terms energy: -78.897206
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -222.878387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.878387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.878387 (E_RNA)
where:
Base-Base interactions energy: -144.760
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.049
local terms energy: -78.070092
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -13.071
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: 266
Temperature: 1.000000
Total energy: -220.608249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.608249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.608249 (E_RNA)
where:
Base-Base interactions energy: -140.794
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.445
local terms energy: -79.369798
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.251
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: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -213.372707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.372707 (E_RNA)
where:
Base-Base interactions energy: -141.293
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.002
local terms energy: -72.077849
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -205.187905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187905 (E_RNA)
where:
Base-Base interactions energy: -128.616
where: short stacking energy: -63.394
Base-Backbone interact. energy: 0.047
local terms energy: -76.619391
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -139.827323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.827323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.827323 (E_RNA)
where:
Base-Base interactions energy: -80.751
where: short stacking energy: -48.474
Base-Backbone interact. energy: -0.617
local terms energy: -58.458932
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -8.148
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -91.927389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927389 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.256
local terms energy: -58.704456
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -8.907
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -80.368823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.368823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.368823 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.354
local terms energy: -42.605618
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -7.746
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: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -80.683486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.683486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.683486 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -26.835
Base-Backbone interact. energy: -0.354
local terms energy: -45.416081
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -125.139712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.139712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.139712 (E_RNA)
where:
Base-Base interactions energy: -75.829
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.104
local terms energy: -49.206421
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -235.473417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473417 (E_RNA)
where:
Base-Base interactions energy: -152.835
where: short stacking energy: -74.679
Base-Backbone interact. energy: -0.575
local terms energy: -82.062729
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -215.840042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840042 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.003
local terms energy: -70.748091
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -198.660721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.660721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.660721 (E_RNA)
where:
Base-Base interactions energy: -125.557
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.430
local terms energy: -72.674055
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -224.448680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.448680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.448680 (E_RNA)
where:
Base-Base interactions energy: -147.512
where: short stacking energy: -70.585
Base-Backbone interact. energy: -0.001
local terms energy: -76.935194
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -209.881685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.881685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.881685 (E_RNA)
where:
Base-Base interactions energy: -131.781
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.074
local terms energy: -78.026329
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -19.899
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: 267
Temperature: 1.150000
Total energy: -103.249511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.249511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.249511 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -38.119
Base-Backbone interact. energy: -0.014
local terms energy: -64.784040
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -10.022
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: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -127.461860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.461860 (E_RNA)
where:
Base-Base interactions energy: -77.184
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.067
local terms energy: -50.210653
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -98.864254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.864254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.864254 (E_RNA)
where:
Base-Base interactions energy: -42.338
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.069
local terms energy: -56.457003
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.280
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: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -82.088494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.088494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.088494 (E_RNA)
where:
Base-Base interactions energy: -27.636
where: short stacking energy: -22.582
Base-Backbone interact. energy: -0.338
local terms energy: -54.114777
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -1.524
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -112.376095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.376095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.376095 (E_RNA)
where:
Base-Base interactions energy: -65.221
where: short stacking energy: -27.949
Base-Backbone interact. energy: 0.668
local terms energy: -47.823221
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.601
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: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -234.564897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.564897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.564897 (E_RNA)
where:
Base-Base interactions energy: -154.792
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.073
local terms energy: -79.700233
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -215.825085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.825085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.825085 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.198
local terms energy: -72.650666
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -228.790268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.790268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.790268 (E_RNA)
where:
Base-Base interactions energy: -158.109
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.001
local terms energy: -70.680467
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -13.222
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: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -208.725045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.725045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.725045 (E_RNA)
where:
Base-Base interactions energy: -139.208
where: short stacking energy: -70.178
Base-Backbone interact. energy: -0.351
local terms energy: -69.166279
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.893
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: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -214.620425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.620425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620425 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.605
local terms energy: -68.613325
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -18.267
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: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -106.031942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.031942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.031942 (E_RNA)
where:
Base-Base interactions energy: -46.024
where: short stacking energy: -46.024
Base-Backbone interact. energy: -0.042
local terms energy: -59.965880
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -5.677
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: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -88.337385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337385 (E_RNA)
where:
Base-Base interactions energy: -30.808
where: short stacking energy: -22.191
Base-Backbone interact. energy: 0.372
local terms energy: -57.901440
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -84.120219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120219 (E_RNA)
where:
Base-Base interactions energy: -43.245
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.233
local terms energy: -40.642539
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -8.173
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -84.683472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.683472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.683472 (E_RNA)
where:
Base-Base interactions energy: -40.658
where: short stacking energy: -30.667
Base-Backbone interact. energy: 2.008
local terms energy: -46.033917
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -73.782979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.782979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.782979 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.080
local terms energy: -43.769619
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -7.494
flat angles P-C4'-P energy: -0.918
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -232.769451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.769451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.769451 (E_RNA)
where:
Base-Base interactions energy: -156.614
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.006
local terms energy: -76.150022
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -21.825
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: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -225.305570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.305570 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.290
local terms energy: -75.768726
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -226.511644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.511644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.511644 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -75.235
Base-Backbone interact. energy: -0.001
local terms energy: -75.112859
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -23.137
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: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -222.697423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.697423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.697423 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.305
local terms energy: -79.372382
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -188.436710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.436710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.436710 (E_RNA)
where:
Base-Base interactions energy: -117.993
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.081
local terms energy: -70.362950
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.350
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -110.433629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.433629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.433629 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -45.962
Base-Backbone interact. energy: 0.494
local terms energy: -60.904371
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -92.981310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.981310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.981310 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.182
local terms energy: -63.421586
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -12.127
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: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -83.770399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.770399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.770399 (E_RNA)
where:
Base-Base interactions energy: -28.407
where: short stacking energy: -25.773
Base-Backbone interact. energy: -2.074
local terms energy: -53.289709
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.623
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: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -85.586781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.586781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.586781 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -34.734
Base-Backbone interact. energy: 0.348
local terms energy: -51.200553
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -82.878566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.878566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.878566 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.013
local terms energy: -48.764160
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -230.793548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.793548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793548 (E_RNA)
where:
Base-Base interactions energy: -153.445
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.292
local terms energy: -77.056321
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -11.842
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: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -225.480076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.480076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.480076 (E_RNA)
where:
Base-Base interactions energy: -149.611
where: short stacking energy: -66.118
Base-Backbone interact. energy: 0.247
local terms energy: -76.116499
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -21.762
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -211.551087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.551087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.551087 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.058
local terms energy: -75.593434
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -218.105289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.105289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.105289 (E_RNA)
where:
Base-Base interactions energy: -141.074
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.015
local terms energy: -77.016638
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -217.470382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.470382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.470382 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.045
local terms energy: -78.428511
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -14.186
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -93.820863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820863 (E_RNA)
where:
Base-Base interactions energy: -40.998
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.007
local terms energy: -52.815898
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -5.694
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -91.373595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.373595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.373595 (E_RNA)
where:
Base-Base interactions energy: -46.998
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.165
local terms energy: -44.210182
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -4.380
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: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -102.692650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.692650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.692650 (E_RNA)
where:
Base-Base interactions energy: -48.335
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.061
local terms energy: -54.296278
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -7.291
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: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -79.317873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.317873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.317873 (E_RNA)
where:
Base-Base interactions energy: -22.654
where: short stacking energy: -20.939
Base-Backbone interact. energy: 0.301
local terms energy: -56.965150
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -76.004240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.004240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.004240 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -20.712
Base-Backbone interact. energy: 1.150
local terms energy: -55.210167
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -229.900195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.900195 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.345
local terms energy: -71.639566
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -221.405115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.405115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.405115 (E_RNA)
where:
Base-Base interactions energy: -145.502
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.517
local terms energy: -75.386304
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -212.316738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.316738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.316738 (E_RNA)
where:
Base-Base interactions energy: -136.619
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.112
local terms energy: -75.586178
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -22.638
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: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -214.097633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.097633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.097633 (E_RNA)
where:
Base-Base interactions energy: -135.948
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.262
local terms energy: -77.888012
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -218.039975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.039975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.039975 (E_RNA)
where:
Base-Base interactions energy: -144.631
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.005
local terms energy: -73.404251
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -105.676675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.676675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.676675 (E_RNA)
where:
Base-Base interactions energy: -48.782
where: short stacking energy: -29.570
Base-Backbone interact. energy: 0.062
local terms energy: -56.956970
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -89.114633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.114633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.114633 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -27.158
Base-Backbone interact. energy: 0.180
local terms energy: -46.515244
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -10.100
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: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -113.383857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.383857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.383857 (E_RNA)
where:
Base-Base interactions energy: -59.829
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.100
local terms energy: -53.455754
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -82.460076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460076 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -31.973
Base-Backbone interact. energy: -0.124
local terms energy: -46.787855
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -83.015363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.015363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.015363 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -26.221
Base-Backbone interact. energy: -0.027
local terms energy: -43.249945
where:
bonds (distance) C4'-P energy: -3.488
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -230.667136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.667136 (E_RNA)
where:
Base-Base interactions energy: -152.235
where: short stacking energy: -70.100
Base-Backbone interact. energy: -0.100
local terms energy: -78.331512
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -21.252
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: 272
Temperature: 0.950000
Total energy: -224.431238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.431238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431238 (E_RNA)
where:
Base-Base interactions energy: -147.769
where: short stacking energy: -75.925
Base-Backbone interact. energy: -0.001
local terms energy: -76.660704
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -220.671780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671780 (E_RNA)
where:
Base-Base interactions energy: -151.479
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.291
local terms energy: -68.902547
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -222.800327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.800327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.800327 (E_RNA)
where:
Base-Base interactions energy: -143.354
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.217
local terms energy: -79.229318
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -223.521889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.521889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521889 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -68.624
Base-Backbone interact. energy: 0.766
local terms energy: -76.145198
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -100.197306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.197306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.197306 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.040
local terms energy: -61.674271
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -132.752026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.752026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.752026 (E_RNA)
where:
Base-Base interactions energy: -70.919
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.105
local terms energy: -61.728261
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -89.574459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574459 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.096
local terms energy: -57.725537
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.916
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -88.925852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.925852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.925852 (E_RNA)
where:
Base-Base interactions energy: -43.728
where: short stacking energy: -42.774
Base-Backbone interact. energy: -0.003
local terms energy: -45.194900
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -75.440066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.440066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.440066 (E_RNA)
where:
Base-Base interactions energy: -25.122
where: short stacking energy: -23.526
Base-Backbone interact. energy: -0.193
local terms energy: -50.125099
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -0.954
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -229.700424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.700424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.700424 (E_RNA)
where:
Base-Base interactions energy: -150.472
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.003
local terms energy: -79.224767
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -220.049571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049571 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.135
local terms energy: -72.391364
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -223.035281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.035281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.035281 (E_RNA)
where:
Base-Base interactions energy: -144.853
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.020
local terms energy: -78.162382
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -20.062
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -220.557862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.557862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.557862 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.596
local terms energy: -77.047921
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -210.601101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601101 (E_RNA)
where:
Base-Base interactions energy: -140.222
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.822
local terms energy: -69.557613
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -165.366372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366372 (E_RNA)
where:
Base-Base interactions energy: -101.776
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.228
local terms energy: -63.362402
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -100.213705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.213705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.213705 (E_RNA)
where:
Base-Base interactions energy: -44.156
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.264
local terms energy: -55.793003
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -7.501
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: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -85.505442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.505442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.505442 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.494
local terms energy: -44.755622
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -3.475
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: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -85.392759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392759 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -25.925
Base-Backbone interact. energy: -1.249
local terms energy: -53.802639
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -70.600438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.600438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.600438 (E_RNA)
where:
Base-Base interactions energy: -25.649
where: short stacking energy: -22.110
Base-Backbone interact. energy: -0.164
local terms energy: -44.787535
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.361
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: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -233.492780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.492780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.492780 (E_RNA)
where:
Base-Base interactions energy: -152.192
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.124
local terms energy: -81.176604
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -218.332416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.332416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.332416 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.429
local terms energy: -76.545468
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -205.613776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.613776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.613776 (E_RNA)
where:
Base-Base interactions energy: -129.955
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.463
local terms energy: -75.195764
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -211.433298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.433298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.433298 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.088
local terms energy: -66.971146
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -211.265150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.265150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.265150 (E_RNA)
where:
Base-Base interactions energy: -143.167
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.089
local terms energy: -68.009870
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -156.268313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.268313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.268313 (E_RNA)
where:
Base-Base interactions energy: -101.871
where: short stacking energy: -45.759
Base-Backbone interact. energy: -0.016
local terms energy: -54.381718
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -98.969910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969910 (E_RNA)
where:
Base-Base interactions energy: -45.805
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.331
local terms energy: -52.833053
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -91.303684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.303684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.303684 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -25.876
Base-Backbone interact. energy: -0.048
local terms energy: -54.449078
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.091421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.091421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.091421 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -27.767
Base-Backbone interact. energy: 0.035
local terms energy: -47.570718
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -3.196
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: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.598367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.598367 (E_RNA)
where:
Base-Base interactions energy: -22.167
where: short stacking energy: -20.486
Base-Backbone interact. energy: 1.380
local terms energy: -54.811488
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -2.412
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: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -236.680931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.680931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.680931 (E_RNA)
where:
Base-Base interactions energy: -155.430
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.062
local terms energy: -81.188780
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -219.799020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799020 (E_RNA)
where:
Base-Base interactions energy: -150.490
where: short stacking energy: -67.623
Base-Backbone interact. energy: -0.276
local terms energy: -69.033389
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -206.265091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.265091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.265091 (E_RNA)
where:
Base-Base interactions energy: -139.188
where: short stacking energy: -65.103
Base-Backbone interact. energy: 0.480
local terms energy: -67.557345
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -211.412407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.412407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.412407 (E_RNA)
where:
Base-Base interactions energy: -141.528
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.010
local terms energy: -69.875157
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -18.955
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: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -211.594510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.594510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.594510 (E_RNA)
where:
Base-Base interactions energy: -142.370
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.103
local terms energy: -69.121449
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -155.218348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.218348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.218348 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.023
local terms energy: -61.834937
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -122.525495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.525495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.525495 (E_RNA)
where:
Base-Base interactions energy: -66.110
where: short stacking energy: -45.366
Base-Backbone interact. energy: -0.151
local terms energy: -56.263850
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -91.354654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.354654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.354654 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -32.622
Base-Backbone interact. energy: -0.413
local terms energy: -43.618982
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -11.256
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: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -85.760801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760801 (E_RNA)
where:
Base-Base interactions energy: -35.815
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.169
local terms energy: -49.777169
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -3.274
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: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -76.510581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.510581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.510581 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -16.156
Base-Backbone interact. energy: -0.058
local terms energy: -51.601760
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -232.787212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.787212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.787212 (E_RNA)
where:
Base-Base interactions energy: -155.549
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.002
local terms energy: -77.236610
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.997
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: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -219.246476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.246476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246476 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.138
local terms energy: -77.853733
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -205.952893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.952893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.952893 (E_RNA)
where:
Base-Base interactions energy: -140.462
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.806
local terms energy: -64.684937
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -192.700199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.700199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.700199 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -57.123
Base-Backbone interact. energy: -0.097
local terms energy: -67.968455
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.973
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: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -202.589462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.589462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.589462 (E_RNA)
where:
Base-Base interactions energy: -132.431
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.000
local terms energy: -70.157759
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -20.216
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -133.706812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.706812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.706812 (E_RNA)
where:
Base-Base interactions energy: -74.398
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.454
local terms energy: -58.854493
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -4.956
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: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -129.584890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.584890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.584890 (E_RNA)
where:
Base-Base interactions energy: -75.093
where: short stacking energy: -41.575
Base-Backbone interact. energy: -0.103
local terms energy: -54.389229
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -87.185840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.185840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.185840 (E_RNA)
where:
Base-Base interactions energy: -34.710
where: short stacking energy: -26.336
Base-Backbone interact. energy: 0.276
local terms energy: -52.751300
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -83.177099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.177099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.177099 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -31.850
Base-Backbone interact. energy: -1.709
local terms energy: -49.617717
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -68.540152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.540152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.540152 (E_RNA)
where:
Base-Base interactions energy: -21.215
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.069
local terms energy: -47.256628
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -234.777452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.777452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.777452 (E_RNA)
where:
Base-Base interactions energy: -155.023
where: short stacking energy: -77.682
Base-Backbone interact. energy: 1.392
local terms energy: -81.146332
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -220.121680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.121680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.121680 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -72.209
Base-Backbone interact. energy: -0.062
local terms energy: -77.322270
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -201.754759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.754759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.754759 (E_RNA)
where:
Base-Base interactions energy: -137.109
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.771
local terms energy: -63.875076
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -212.921560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.921560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.921560 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.000
local terms energy: -72.725152
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -203.746668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.746668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.746668 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.542
local terms energy: -71.592992
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -21.049
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: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -172.921746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.921746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.921746 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -47.896
Base-Backbone interact. energy: 0.832
local terms energy: -53.061578
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -133.397647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.397647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.397647 (E_RNA)
where:
Base-Base interactions energy: -81.903
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.465
local terms energy: -51.029330
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -81.188961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.188961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.188961 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.308
local terms energy: -40.556249
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: 1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -90.940962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.940962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.940962 (E_RNA)
where:
Base-Base interactions energy: -43.609
where: short stacking energy: -43.517
Base-Backbone interact. energy: 1.133
local terms energy: -48.464438
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -1.760
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.947235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.947235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.947235 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.317
local terms energy: -46.467003
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -231.465243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.465243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.465243 (E_RNA)
where:
Base-Base interactions energy: -151.526
where: short stacking energy: -70.479
Base-Backbone interact. energy: -0.578
local terms energy: -79.361825
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -228.322069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.322069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.322069 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.003
local terms energy: -80.176466
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -216.371836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.371836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.371836 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.001
local terms energy: -80.099487
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -201.984825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.984825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.984825 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.512
local terms energy: -70.966979
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -14.034
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: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -218.294911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.294911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.294911 (E_RNA)
where:
Base-Base interactions energy: -137.081
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.403
local terms energy: -80.811180
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -171.937150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.937150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.937150 (E_RNA)
where:
Base-Base interactions energy: -109.101
where: short stacking energy: -41.796
Base-Backbone interact. energy: 0.126
local terms energy: -62.962224
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.513
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: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -126.891298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.891298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.891298 (E_RNA)
where:
Base-Base interactions energy: -73.626
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.384
local terms energy: -52.881163
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -110.308156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.308156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.308156 (E_RNA)
where:
Base-Base interactions energy: -56.507
where: short stacking energy: -42.064
Base-Backbone interact. energy: -0.007
local terms energy: -53.794430
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -82.508570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.508570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.508570 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.097
local terms energy: -53.782326
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -3.371
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -6.981
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -85.417205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.417205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.417205 (E_RNA)
where:
Base-Base interactions energy: -27.178
where: short stacking energy: -27.178
Base-Backbone interact. energy: -0.024
local terms energy: -58.215293
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -225.847614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.847614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.847614 (E_RNA)
where:
Base-Base interactions energy: -148.074
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.547
local terms energy: -77.226806
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -218.131452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.131452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.131452 (E_RNA)
where:
Base-Base interactions energy: -148.095
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.082
local terms energy: -69.954463
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.199
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: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -217.183208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.183208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.183208 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.033
local terms energy: -71.571007
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -211.422733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.422733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.422733 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.172
local terms energy: -68.404225
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -187.995599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995599 (E_RNA)
where:
Base-Base interactions energy: -122.640
where: short stacking energy: -64.360
Base-Backbone interact. energy: 0.909
local terms energy: -66.264881
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -176.025590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.025590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.025590 (E_RNA)
where:
Base-Base interactions energy: -113.547
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.010
local terms energy: -62.468627
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -133.277490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.277490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.277490 (E_RNA)
where:
Base-Base interactions energy: -78.405
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.491
local terms energy: -54.381671
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -100.718029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718029 (E_RNA)
where:
Base-Base interactions energy: -44.747
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.002
local terms energy: -55.969186
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -82.929393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929393 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.133
local terms energy: -55.064411
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -85.215995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.215995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.215995 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.067
local terms energy: -48.230733
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -234.537657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.537657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.537657 (E_RNA)
where:
Base-Base interactions energy: -156.202
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.102
local terms energy: -78.233612
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -232.053844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.053844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.053844 (E_RNA)
where:
Base-Base interactions energy: -151.129
where: short stacking energy: -78.731
Base-Backbone interact. energy: -0.043
local terms energy: -80.881753
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -212.753949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.753949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753949 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.102
local terms energy: -70.680308
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -216.733964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.733964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.733964 (E_RNA)
where:
Base-Base interactions energy: -139.823
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.597
local terms energy: -76.313666
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -22.508
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: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -186.512880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.512880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.512880 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.057
local terms energy: -63.971583
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -184.755539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.755539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.755539 (E_RNA)
where:
Base-Base interactions energy: -126.387
where: short stacking energy: -56.074
Base-Backbone interact. energy: -0.307
local terms energy: -58.060936
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -143.764115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.764115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.764115 (E_RNA)
where:
Base-Base interactions energy: -84.061
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.149
local terms energy: -59.553988
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.893
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: 280
Temperature: 1.250000
Total energy: -88.014794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.014794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.014794 (E_RNA)
where:
Base-Base interactions energy: -30.525
where: short stacking energy: -28.293
Base-Backbone interact. energy: -0.534
local terms energy: -56.955318
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -99.568181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.568181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.568181 (E_RNA)
where:
Base-Base interactions energy: -55.627
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.193
local terms energy: -43.749047
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.441
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -77.168107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.168107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.168107 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.239
local terms energy: -40.503838
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -7.377
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: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -233.888538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.888538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.888538 (E_RNA)
where:
Base-Base interactions energy: -151.492
where: short stacking energy: -72.727
Base-Backbone interact. energy: -0.126
local terms energy: -82.270430
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -227.877554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877554 (E_RNA)
where:
Base-Base interactions energy: -149.229
where: short stacking energy: -79.573
Base-Backbone interact. energy: -0.000
local terms energy: -78.648559
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -221.554105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.554105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.554105 (E_RNA)
where:
Base-Base interactions energy: -145.710
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.255
local terms energy: -75.589563
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -189.561859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.561859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.561859 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -49.236
Base-Backbone interact. energy: -0.011
local terms energy: -66.009284
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -213.237630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.237630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.237630 (E_RNA)
where:
Base-Base interactions energy: -146.975
where: short stacking energy: -71.953
Base-Backbone interact. energy: -0.124
local terms energy: -66.139068
where:
bonds (distance) C4'-P energy: -4.861
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -187.103689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.103689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.103689 (E_RNA)
where:
Base-Base interactions energy: -123.749
where: short stacking energy: -62.984
Base-Backbone interact. energy: -0.038
local terms energy: -63.317551
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -132.397035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.397035 (E_RNA)
where:
Base-Base interactions energy: -77.135
where: short stacking energy: -44.786
Base-Backbone interact. energy: -0.945
local terms energy: -54.317147
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -92.829889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.829889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.829889 (E_RNA)
where:
Base-Base interactions energy: -43.176
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.034
local terms energy: -49.620000
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -74.226037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.226037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.226037 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.038
local terms energy: -46.307692
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -9.078
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -6.013
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: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -86.256801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256801 (E_RNA)
where:
Base-Base interactions energy: -35.103
where: short stacking energy: -32.375
Base-Backbone interact. energy: -1.092
local terms energy: -50.061014
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -223.668508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668508 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -67.578
Base-Backbone interact. energy: -1.063
local terms energy: -70.770870
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -234.006986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.006986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.006986 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.000
local terms energy: -73.599387
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -20.366
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: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -220.168689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.168689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.168689 (E_RNA)
where:
Base-Base interactions energy: -145.329
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.003
local terms energy: -74.836518
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -189.045494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.045494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.045494 (E_RNA)
where:
Base-Base interactions energy: -117.131
where: short stacking energy: -58.551
Base-Backbone interact. energy: 0.485
local terms energy: -72.399053
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -180.967617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.967617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.967617 (E_RNA)
where:
Base-Base interactions energy: -118.864
where: short stacking energy: -50.235
Base-Backbone interact. energy: 0.264
local terms energy: -62.367724
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -190.462340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462340 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -70.150
Base-Backbone interact. energy: -0.020
local terms energy: -55.952713
where:
bonds (distance) C4'-P energy: -6.603
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -7.375
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: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -118.961343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.961343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.961343 (E_RNA)
where:
Base-Base interactions energy: -71.605
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.096
local terms energy: -47.260593
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -1.866
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -81.215476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.215476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.215476 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -15.410
Base-Backbone interact. energy: 0.654
local terms energy: -53.650327
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -91.440600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.440600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.440600 (E_RNA)
where:
Base-Base interactions energy: -53.453
where: short stacking energy: -21.220
Base-Backbone interact. energy: 3.508
local terms energy: -41.496336
where:
bonds (distance) C4'-P energy: -4.258
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -9.938
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -75.170158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.170158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.170158 (E_RNA)
where:
Base-Base interactions energy: -27.702
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.151
local terms energy: -47.316896
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -3.314
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: 283
Temperature: 0.900000
Total energy: -233.780424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.780424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.780424 (E_RNA)
where:
Base-Base interactions energy: -159.289
where: short stacking energy: -79.108
Base-Backbone interact. energy: -0.724
local terms energy: -73.767568
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -225.020637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.020637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.020637 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.519
local terms energy: -76.046661
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -17.730
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -217.088083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.088083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.088083 (E_RNA)
where:
Base-Base interactions energy: -135.084
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.028
local terms energy: -81.975881
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -23.062
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: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -198.004604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.004604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.004604 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -50.877
Base-Backbone interact. energy: -0.522
local terms energy: -68.797397
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -183.200258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.200258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.200258 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.075
local terms energy: -63.873992
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -179.962761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.962761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.962761 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -55.039
Base-Backbone interact. energy: -0.131
local terms energy: -62.496436
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -125.949183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.949183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.949183 (E_RNA)
where:
Base-Base interactions energy: -76.397
where: short stacking energy: -37.259
Base-Backbone interact. energy: 0.210
local terms energy: -49.762961
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -94.917307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.917307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.917307 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -26.057
Base-Backbone interact. energy: 1.958
local terms energy: -49.296397
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: 0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -84.858643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.858643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.858643 (E_RNA)
where:
Base-Base interactions energy: -35.896
where: short stacking energy: -35.896
Base-Backbone interact. energy: 0.121
local terms energy: -49.083490
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -1.521
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -76.950195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950195 (E_RNA)
where:
Base-Base interactions energy: -34.655
where: short stacking energy: -23.561
Base-Backbone interact. energy: -0.202
local terms energy: -42.093191
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: 0.819
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -228.009361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.009361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.009361 (E_RNA)
where:
Base-Base interactions energy: -149.031
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.010
local terms energy: -78.969157
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -228.908776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.908776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.908776 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -73.753
Base-Backbone interact. energy: -0.001
local terms energy: -71.697679
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -21.272
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -209.915871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915871 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.068
local terms energy: -72.030186
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -10.083
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -204.137331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.137331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.137331 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.008
local terms energy: -75.928398
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -19.599
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: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -187.018641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018641 (E_RNA)
where:
Base-Base interactions energy: -114.993
where: short stacking energy: -54.786
Base-Backbone interact. energy: -0.121
local terms energy: -71.904873
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -14.590
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: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -171.991925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.991925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.991925 (E_RNA)
where:
Base-Base interactions energy: -120.565
where: short stacking energy: -53.010
Base-Backbone interact. energy: 0.342
local terms energy: -51.769421
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -7.904
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: 284
Temperature: 1.200000
Total energy: -131.123353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.123353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.123353 (E_RNA)
where:
Base-Base interactions energy: -82.532
where: short stacking energy: -46.845
Base-Backbone interact. energy: -0.417
local terms energy: -48.174270
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -89.861809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861809 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.464
local terms energy: -51.923798
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -2.766
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: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -84.425689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.425689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.425689 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -31.825
Base-Backbone interact. energy: 0.059
local terms energy: -52.658915
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -10.980
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: 284
Temperature: 1.350000
Total energy: -78.911233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.911233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.911233 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -27.568
Base-Backbone interact. energy: 0.655
local terms energy: -44.287636
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -234.665570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.665570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.665570 (E_RNA)
where:
Base-Base interactions energy: -157.070
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.616
local terms energy: -76.979803
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -235.727160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.727160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.727160 (E_RNA)
where:
Base-Base interactions energy: -154.017
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.464
local terms energy: -81.246049
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -23.293
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: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -211.885578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.885578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.885578 (E_RNA)
where:
Base-Base interactions energy: -144.365
where: short stacking energy: -60.983
Base-Backbone interact. energy: 0.317
local terms energy: -67.837653
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -191.226573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.226573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226573 (E_RNA)
where:
Base-Base interactions energy: -118.471
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.012
local terms energy: -72.743748
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -196.876210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.876210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.876210 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.845
local terms energy: -65.665222
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -176.800733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.800733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.800733 (E_RNA)
where:
Base-Base interactions energy: -110.393
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.614
local terms energy: -65.793441
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -136.118728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.118728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.118728 (E_RNA)
where:
Base-Base interactions energy: -81.638
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.036
local terms energy: -54.444346
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -87.308961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.308961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.308961 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -19.356
Base-Backbone interact. energy: -0.240
local terms energy: -55.891861
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -87.276303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276303 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -34.627
Base-Backbone interact. energy: 1.989
local terms energy: -48.886236
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -5.512
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -91.203761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.203761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.203761 (E_RNA)
where:
Base-Base interactions energy: -36.987
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.196
local terms energy: -54.020431
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -7.505
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: 286
Temperature: 0.900000
Total energy: -237.570268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.570268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.570268 (E_RNA)
where:
Base-Base interactions energy: -158.638
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.475
local terms energy: -78.457810
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -221.473490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.473490 (E_RNA)
where:
Base-Base interactions energy: -148.162
where: short stacking energy: -62.950
Base-Backbone interact. energy: -0.474
local terms energy: -72.837550
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -223.927464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.927464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.927464 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -72.594
Base-Backbone interact. energy: -0.003
local terms energy: -76.995093
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -210.690722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.690722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.690722 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -71.287
Base-Backbone interact. energy: -1.344
local terms energy: -77.162674
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -19.869
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -194.271895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.271895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.271895 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.004
local terms energy: -61.513847
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -187.079180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.079180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.079180 (E_RNA)
where:
Base-Base interactions energy: -114.274
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.004
local terms energy: -72.801728
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -12.410
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: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -133.156632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.156632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.156632 (E_RNA)
where:
Base-Base interactions energy: -75.050
where: short stacking energy: -45.325
Base-Backbone interact. energy: -0.064
local terms energy: -58.042149
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -7.993
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -94.226776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.226776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.226776 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -36.105
Base-Backbone interact. energy: -0.324
local terms energy: -50.314545
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -11.634
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -79.638388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.638388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.638388 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -24.342
Base-Backbone interact. energy: 2.786
local terms energy: -53.520050
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -9.967
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: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.403614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.403614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.403614 (E_RNA)
where:
Base-Base interactions energy: -22.692
where: short stacking energy: -21.586
Base-Backbone interact. energy: -0.210
local terms energy: -52.501865
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -230.613086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.613086 (E_RNA)
where:
Base-Base interactions energy: -155.277
where: short stacking energy: -81.428
Base-Backbone interact. energy: -0.010
local terms energy: -75.325735
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -225.158384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.158384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.158384 (E_RNA)
where:
Base-Base interactions energy: -153.567
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.329
local terms energy: -71.262520
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -8.711
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: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -218.813978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.813978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813978 (E_RNA)
where:
Base-Base interactions energy: -145.785
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.096
local terms energy: -72.933475
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -18.267
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -218.691260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691260 (E_RNA)
where:
Base-Base interactions energy: -146.585
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.117
local terms energy: -71.988624
where:
bonds (distance) C4'-P energy: -7.323
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -198.483406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.483406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.483406 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.007
local terms energy: -73.889744
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -187.178069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.178069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.178069 (E_RNA)
where:
Base-Base interactions energy: -115.874
where: short stacking energy: -53.386
Base-Backbone interact. energy: 0.824
local terms energy: -72.128042
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -13.907
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: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -124.818417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.818417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.818417 (E_RNA)
where:
Base-Base interactions energy: -71.763
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.435
local terms energy: -52.620878
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.421
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -97.570100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.570100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.570100 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -39.616
Base-Backbone interact. energy: -1.027
local terms energy: -51.663954
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -97.961972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.961972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.961972 (E_RNA)
where:
Base-Base interactions energy: -51.106
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.151
local terms energy: -46.705038
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -2.841
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.166251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.166251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.166251 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -28.210
Base-Backbone interact. energy: -0.255
local terms energy: -43.399699
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -235.131712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.131712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.131712 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -79.202
Base-Backbone interact. energy: -0.138
local terms energy: -82.020871
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -228.750153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.750153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.750153 (E_RNA)
where:
Base-Base interactions energy: -151.716
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.005
local terms energy: -77.030093
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -220.482208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482208 (E_RNA)
where:
Base-Base interactions energy: -144.537
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.790
local terms energy: -75.155482
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -212.015878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015878 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.001
local terms energy: -68.735779
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -209.471301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.471301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.471301 (E_RNA)
where:
Base-Base interactions energy: -141.848
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.164
local terms energy: -67.459716
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -175.934553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.934553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.934553 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.001
local terms energy: -63.471822
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -140.952760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.952760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.952760 (E_RNA)
where:
Base-Base interactions energy: -81.751
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.071
local terms energy: -59.130935
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -86.329003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329003 (E_RNA)
where:
Base-Base interactions energy: -29.471
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.306
local terms energy: -56.551874
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -88.848215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848215 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.082
local terms energy: -47.944786
where:
bonds (distance) C4'-P energy: -6.205
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -75.509237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509237 (E_RNA)
where:
Base-Base interactions energy: -26.192
where: short stacking energy: -9.260
Base-Backbone interact. energy: -0.204
local terms energy: -49.112270
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: 2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -228.683401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.683401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683401 (E_RNA)
where:
Base-Base interactions energy: -149.094
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.003
local terms energy: -79.586183
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -21.859
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: 289
Temperature: 0.950000
Total energy: -220.412243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.412243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.412243 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.483
local terms energy: -70.762614
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -214.892658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.892658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892658 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -73.079
Base-Backbone interact. energy: -0.064
local terms energy: -75.519676
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -211.642771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.642771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.642771 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.430
local terms energy: -66.615269
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -22.065
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: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -203.752147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.752147 (E_RNA)
where:
Base-Base interactions energy: -135.330
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.517
local terms energy: -67.905540
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -144.619308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.619308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.619308 (E_RNA)
where:
Base-Base interactions energy: -87.896
where: short stacking energy: -43.900
Base-Backbone interact. energy: -0.193
local terms energy: -56.530270
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -6.045
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: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -177.697567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.697567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.697567 (E_RNA)
where:
Base-Base interactions energy: -114.220
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.064
local terms energy: -63.414048
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.689
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: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -86.378420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.378420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.378420 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -23.529
Base-Backbone interact. energy: -0.229
local terms energy: -46.711663
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -90.955889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955889 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -34.923
Base-Backbone interact. energy: -0.704
local terms energy: -53.250588
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -93.763159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.763159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.763159 (E_RNA)
where:
Base-Base interactions energy: -56.399
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.169
local terms energy: -37.195866
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -218.341800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.341800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.341800 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.100
local terms energy: -73.239050
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -12.651
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: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -223.823996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.823996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.823996 (E_RNA)
where:
Base-Base interactions energy: -145.513
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.281
local terms energy: -78.029874
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -213.770681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.770681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.770681 (E_RNA)
where:
Base-Base interactions energy: -149.820
where: short stacking energy: -78.475
Base-Backbone interact. energy: -0.216
local terms energy: -63.733810
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -205.377807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.377807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.377807 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.051
local terms energy: -68.394163
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -19.559
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -215.158805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.158805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.158805 (E_RNA)
where:
Base-Base interactions energy: -143.818
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.100
local terms energy: -71.240415
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -138.988418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.988418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.988418 (E_RNA)
where:
Base-Base interactions energy: -80.707
where: short stacking energy: -48.202
Base-Backbone interact. energy: -0.104
local terms energy: -58.177118
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -162.267623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.267623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.267623 (E_RNA)
where:
Base-Base interactions energy: -111.305
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.130
local terms energy: -50.832972
where:
bonds (distance) C4'-P energy: -4.771
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -89.136708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.136708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.136708 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.281
local terms energy: -49.444160
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -80.261841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261841 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.665
local terms energy: -41.067638
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.079
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -72.989838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.989838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.989838 (E_RNA)
where:
Base-Base interactions energy: -21.772
where: short stacking energy: -17.621
Base-Backbone interact. energy: -0.138
local terms energy: -51.079554
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -1.599
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: 291
Temperature: 0.900000
Total energy: -228.815275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.815275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.815275 (E_RNA)
where:
Base-Base interactions energy: -153.249
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.411
local terms energy: -75.155493
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.615
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: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -234.529292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.529292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.529292 (E_RNA)
where:
Base-Base interactions energy: -151.097
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.042
local terms energy: -83.390287
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -22.394
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: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -220.835850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.835850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.835850 (E_RNA)
where:
Base-Base interactions energy: -147.019
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.000
local terms energy: -73.817007
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -209.303567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.303567 (E_RNA)
where:
Base-Base interactions energy: -137.352
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.051
local terms energy: -71.901237
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -196.952160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.952160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.952160 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.202
local terms energy: -71.300192
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -17.916
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -172.843599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.843599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.843599 (E_RNA)
where:
Base-Base interactions energy: -104.960
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.209
local terms energy: -67.674735
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -113.025357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.025357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.025357 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.231
local terms energy: -52.323052
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -79.416204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416204 (E_RNA)
where:
Base-Base interactions energy: -28.207
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.358
local terms energy: -50.850903
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -81.812035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.812035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.812035 (E_RNA)
where:
Base-Base interactions energy: -29.057
where: short stacking energy: -28.224
Base-Backbone interact. energy: 0.249
local terms energy: -53.004639
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -8.336
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.775820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775820 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -20.384
Base-Backbone interact. energy: -0.027
local terms energy: -58.608893
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -4.381
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: 292
Temperature: 0.900000
Total energy: -228.343570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.343570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.343570 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.004
local terms energy: -76.715227
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -235.803186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.803186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.803186 (E_RNA)
where:
Base-Base interactions energy: -156.716
where: short stacking energy: -76.211
Base-Backbone interact. energy: -0.282
local terms energy: -78.805271
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -217.496785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.496785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.496785 (E_RNA)
where:
Base-Base interactions energy: -148.357
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.002
local terms energy: -69.137858
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -207.473160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.473160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.473160 (E_RNA)
where:
Base-Base interactions energy: -137.963
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.001
local terms energy: -69.509142
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -194.140295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.140295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140295 (E_RNA)
where:
Base-Base interactions energy: -118.198
where: short stacking energy: -55.351
Base-Backbone interact. energy: -0.448
local terms energy: -75.494107
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.364
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -192.682582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.682582 (E_RNA)
where:
Base-Base interactions energy: -125.239
where: short stacking energy: -52.616
Base-Backbone interact. energy: 0.032
local terms energy: -67.475190
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -127.909363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.909363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.909363 (E_RNA)
where:
Base-Base interactions energy: -71.384
where: short stacking energy: -33.020
Base-Backbone interact. energy: -0.643
local terms energy: -55.882559
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -98.767006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.767006 (E_RNA)
where:
Base-Base interactions energy: -43.842
where: short stacking energy: -23.303
Base-Backbone interact. energy: 0.573
local terms energy: -55.498168
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -101.118032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.118032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.118032 (E_RNA)
where:
Base-Base interactions energy: -43.193
where: short stacking energy: -41.343
Base-Backbone interact. energy: 0.660
local terms energy: -58.585028
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -10.659
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: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -69.923878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.923878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.923878 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -13.188
Base-Backbone interact. energy: -0.023
local terms energy: -33.494031
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: 4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -228.126823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.126823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.126823 (E_RNA)
where:
Base-Base interactions energy: -156.130
where: short stacking energy: -76.365
Base-Backbone interact. energy: -0.007
local terms energy: -71.989779
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -218.484953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.484953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.484953 (E_RNA)
where:
Base-Base interactions energy: -142.431
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.140
local terms energy: -75.914632
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -219.218714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.218714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.218714 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -67.818
Base-Backbone interact. energy: -0.019
local terms energy: -74.390484
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -215.143081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.143081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.143081 (E_RNA)
where:
Base-Base interactions energy: -141.801
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.243
local terms energy: -73.098804
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.587
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: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -201.903466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.903466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.903466 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.244
local terms energy: -71.489399
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -21.821
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -182.497564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.497564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.497564 (E_RNA)
where:
Base-Base interactions energy: -107.214
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.012
local terms energy: -75.271927
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -143.410685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.410685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.410685 (E_RNA)
where:
Base-Base interactions energy: -85.257
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.088
local terms energy: -58.066281
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -81.883593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.883593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.883593 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.357
local terms energy: -45.091088
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.589
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: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.041574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041574 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.211
local terms energy: -47.677274
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -2.441
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: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -82.215390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.215390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.215390 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -34.366
Base-Backbone interact. energy: -0.118
local terms energy: -47.028844
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -235.492882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.492882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.492882 (E_RNA)
where:
Base-Base interactions energy: -156.053
where: short stacking energy: -77.865
Base-Backbone interact. energy: -0.001
local terms energy: -79.438222
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -218.574536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.574536 (E_RNA)
where:
Base-Base interactions energy: -145.209
where: short stacking energy: -67.718
Base-Backbone interact. energy: 1.505
local terms energy: -74.870320
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -219.132055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132055 (E_RNA)
where:
Base-Base interactions energy: -146.902
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.283
local terms energy: -71.946218
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -227.382660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.382660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.382660 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -74.232
Base-Backbone interact. energy: -0.721
local terms energy: -79.395892
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -199.855481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.855481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.855481 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.218
local terms energy: -69.547836
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -183.129214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.129214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129214 (E_RNA)
where:
Base-Base interactions energy: -120.932
where: short stacking energy: -63.109
Base-Backbone interact. energy: 0.536
local terms energy: -62.733314
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -146.797927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.797927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.797927 (E_RNA)
where:
Base-Base interactions energy: -90.741
where: short stacking energy: -50.582
Base-Backbone interact. energy: -0.083
local terms energy: -55.973026
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -84.671348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671348 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -27.178
Base-Backbone interact. energy: -0.264
local terms energy: -49.910391
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -78.985974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.985974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.985974 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.022
local terms energy: -49.536114
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -77.125883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.125883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.125883 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.657
local terms energy: -45.156270
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -232.080946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.080946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.080946 (E_RNA)
where:
Base-Base interactions energy: -151.997
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.003
local terms energy: -80.081519
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -234.717019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.717019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.717019 (E_RNA)
where:
Base-Base interactions energy: -148.067
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.000
local terms energy: -86.649448
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -225.507942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.507942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.507942 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.725
local terms energy: -76.786809
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -215.945044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.945044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.945044 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.732
local terms energy: -71.674872
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.533
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: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -207.127757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.127757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.127757 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -74.506
Base-Backbone interact. energy: -0.249
local terms energy: -69.073585
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -175.412267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.412267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.412267 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -49.496
Base-Backbone interact. energy: 0.481
local terms energy: -53.199055
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -6.447
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -138.020144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.020144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.020144 (E_RNA)
where:
Base-Base interactions energy: -88.544
where: short stacking energy: -27.524
Base-Backbone interact. energy: 1.051
local terms energy: -50.526693
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -0.002
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -86.622769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622769 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -31.502
Base-Backbone interact. energy: 0.621
local terms energy: -48.092065
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -3.422
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.556921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556921 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.073
local terms energy: -53.709767
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -3.938
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -88.373545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373545 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.173
local terms energy: -49.085492
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -224.516384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.516384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.516384 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -77.497
Base-Backbone interact. energy: -0.052
local terms energy: -71.169847
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -221.145373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145373 (E_RNA)
where:
Base-Base interactions energy: -149.290
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.001
local terms energy: -71.853978
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.308
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: 296
Temperature: 1.000000
Total energy: -214.007817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007817 (E_RNA)
where:
Base-Base interactions energy: -138.558
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.054
local terms energy: -75.395221
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -212.954756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.954756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.954756 (E_RNA)
where:
Base-Base interactions energy: -144.900
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.633
local terms energy: -67.422174
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -17.597
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: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -216.306397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.306397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306397 (E_RNA)
where:
Base-Base interactions energy: -145.769
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.839
local terms energy: -69.697653
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -173.746285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.746285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.746285 (E_RNA)
where:
Base-Base interactions energy: -115.715
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.014
local terms energy: -58.017218
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.518
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -134.478152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.478152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.478152 (E_RNA)
where:
Base-Base interactions energy: -69.907
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.048
local terms energy: -64.523584
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.406
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: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -86.248839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248839 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -33.101
Base-Backbone interact. energy: 0.907
local terms energy: -51.093387
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -82.023963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023963 (E_RNA)
where:
Base-Base interactions energy: -34.109
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.563
local terms energy: -47.352183
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -72.752998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.752998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.752998 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -23.595
Base-Backbone interact. energy: -0.108
local terms energy: -36.473648
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: 6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -232.651353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.651353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.651353 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -74.708
Base-Backbone interact. energy: -0.013
local terms energy: -76.057363
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -224.202530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.202530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.202530 (E_RNA)
where:
Base-Base interactions energy: -153.843
where: short stacking energy: -77.776
Base-Backbone interact. energy: -0.001
local terms energy: -70.358746
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -224.075952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.075952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.075952 (E_RNA)
where:
Base-Base interactions energy: -147.868
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.548
local terms energy: -75.659374
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -223.038073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.038073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.038073 (E_RNA)
where:
Base-Base interactions energy: -146.840
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.010
local terms energy: -76.188530
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -208.198865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.198865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.198865 (E_RNA)
where:
Base-Base interactions energy: -135.535
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.312
local terms energy: -72.352036
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.028
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -187.507450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.507450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.507450 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -56.583
Base-Backbone interact. energy: 1.208
local terms energy: -62.522871
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -134.608079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.608079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.608079 (E_RNA)
where:
Base-Base interactions energy: -89.671
where: short stacking energy: -49.905
Base-Backbone interact. energy: 0.133
local terms energy: -45.069868
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -3.202
tors. eta vs tors. theta energy: -8.789
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: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -115.935325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.935325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.935325 (E_RNA)
where:
Base-Base interactions energy: -63.231
where: short stacking energy: -44.114
Base-Backbone interact. energy: -0.098
local terms energy: -52.606499
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -2.315
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -94.722975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.722975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.722975 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.108
local terms energy: -63.712243
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -82.338031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.338031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.338031 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.448
local terms energy: -39.419170
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -6.549
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: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -225.061989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.061989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.061989 (E_RNA)
where:
Base-Base interactions energy: -149.395
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.248
local terms energy: -75.418958
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.691
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -227.057817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.057817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.057817 (E_RNA)
where:
Base-Base interactions energy: -152.079
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.046
local terms energy: -74.932073
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -11.503
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -217.905198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.905198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.905198 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.018
local terms energy: -70.461929
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -20.949
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -222.781263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.781263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.781263 (E_RNA)
where:
Base-Base interactions energy: -154.484
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.292
local terms energy: -68.005138
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -176.969665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969665 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -46.873
Base-Backbone interact. energy: -0.332
local terms energy: -65.987394
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.787
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: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -172.299284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.299284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.299284 (E_RNA)
where:
Base-Base interactions energy: -114.356
where: short stacking energy: -48.124
Base-Backbone interact. energy: -0.097
local terms energy: -57.846962
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -135.316230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.316230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.316230 (E_RNA)
where:
Base-Base interactions energy: -79.453
where: short stacking energy: -46.740
Base-Backbone interact. energy: 0.642
local terms energy: -56.504826
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -9.792
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: 298
Temperature: 1.250000
Total energy: -94.644422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.644422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.644422 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -33.498
Base-Backbone interact. energy: -0.108
local terms energy: -57.479364
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -6.312
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: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -88.825735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825735 (E_RNA)
where:
Base-Base interactions energy: -30.969
where: short stacking energy: -28.857
Base-Backbone interact. energy: -0.244
local terms energy: -57.612764
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -73.406282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.406282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.406282 (E_RNA)
where:
Base-Base interactions energy: -24.348
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.227
local terms energy: -48.830905
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -3.968
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -229.110113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.110113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.110113 (E_RNA)
where:
Base-Base interactions energy: -149.451
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.630
local terms energy: -79.029321
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -228.682692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.682692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.682692 (E_RNA)
where:
Base-Base interactions energy: -148.983
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.550
local terms energy: -79.150535
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -217.670802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.670802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.670802 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -75.480
Base-Backbone interact. energy: -0.126
local terms energy: -69.861541
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -216.239542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.239542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.239542 (E_RNA)
where:
Base-Base interactions energy: -138.205
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.455
local terms energy: -77.579604
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -177.322447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.322447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.322447 (E_RNA)
where:
Base-Base interactions energy: -117.421
where: short stacking energy: -56.944
Base-Backbone interact. energy: -0.318
local terms energy: -59.583415
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -16.478
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: 299
Temperature: 1.150000
Total energy: -135.714277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.714277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.714277 (E_RNA)
where:
Base-Base interactions energy: -88.482
where: short stacking energy: -39.926
Base-Backbone interact. energy: -1.077
local terms energy: -46.155072
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -2.085
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: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -179.926370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926370 (E_RNA)
where:
Base-Base interactions energy: -119.656
where: short stacking energy: -60.104
Base-Backbone interact. energy: 0.075
local terms energy: -60.345801
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -86.010462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.010462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.010462 (E_RNA)
where:
Base-Base interactions energy: -32.891
where: short stacking energy: -27.801
Base-Backbone interact. energy: -0.197
local terms energy: -52.922121
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -76.865789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.865789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.865789 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -24.318
Base-Backbone interact. energy: -0.468
local terms energy: -36.354917
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -103.182162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.182162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.182162 (E_RNA)
where:
Base-Base interactions energy: -62.616
where: short stacking energy: -27.804
Base-Backbone interact. energy: 0.966
local terms energy: -41.532260
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -233.968150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.968150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.968150 (E_RNA)
where:
Base-Base interactions energy: -147.495
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.250
local terms energy: -86.222471
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -225.751913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.751913 (E_RNA)
where:
Base-Base interactions energy: -159.407
where: short stacking energy: -74.936
Base-Backbone interact. energy: -0.076
local terms energy: -66.268954
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -216.134883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.134883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134883 (E_RNA)
where:
Base-Base interactions energy: -139.503
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.002
local terms energy: -76.630054
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -20.914
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: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -217.268805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.268805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268805 (E_RNA)
where:
Base-Base interactions energy: -140.830
where: short stacking energy: -56.969
Base-Backbone interact. energy: -0.219
local terms energy: -76.219525
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -19.907
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: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -188.070241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.070241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.070241 (E_RNA)
where:
Base-Base interactions energy: -127.047
where: short stacking energy: -48.618
Base-Backbone interact. energy: 0.553
local terms energy: -61.575775
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -11.923
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: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -153.949664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.949664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.949664 (E_RNA)
where:
Base-Base interactions energy: -93.354
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.007
local terms energy: -60.589055
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -194.365319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.365319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.365319 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.468
local terms energy: -71.396352
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -78.418877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.418877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.418877 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -28.653
Base-Backbone interact. energy: 0.290
local terms energy: -38.250073
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -6.353
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -83.041202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.041202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.041202 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -25.197
Base-Backbone interact. energy: -0.092
local terms energy: -49.307009
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -7.427
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: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -76.351303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351303 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.898
local terms energy: -42.340202
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -230.746414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.746414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.746414 (E_RNA)
where:
Base-Base interactions energy: -148.725
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.002
local terms energy: -82.019499
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -22.492
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: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -221.862698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.862698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.862698 (E_RNA)
where:
Base-Base interactions energy: -146.164
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.021
local terms energy: -75.678498
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -20.089
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: 301
Temperature: 1.000000
Total energy: -227.240315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.240315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.240315 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.020
local terms energy: -80.474013
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.627
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -191.542240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.542240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.542240 (E_RNA)
where:
Base-Base interactions energy: -119.799
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.137
local terms energy: -71.605893
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -204.039191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039191 (E_RNA)
where:
Base-Base interactions energy: -132.152
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.086
local terms energy: -71.801874
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -179.224065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.224065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.224065 (E_RNA)
where:
Base-Base interactions energy: -117.852
where: short stacking energy: -46.312
Base-Backbone interact. energy: -1.845
local terms energy: -59.527160
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -140.908781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.908781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.908781 (E_RNA)
where:
Base-Base interactions energy: -77.401
where: short stacking energy: -49.073
Base-Backbone interact. energy: -0.028
local terms energy: -63.479806
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -91.767784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.767784 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -27.372
Base-Backbone interact. energy: -0.271
local terms energy: -52.663217
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -4.839
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: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -95.200516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200516 (E_RNA)
where:
Base-Base interactions energy: -45.887
where: short stacking energy: -38.687
Base-Backbone interact. energy: -0.130
local terms energy: -49.183270
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -96.245068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.245068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.245068 (E_RNA)
where:
Base-Base interactions energy: -54.759
where: short stacking energy: -19.057
Base-Backbone interact. energy: -0.511
local terms energy: -40.975133
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: 3.182
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: 302
Temperature: 0.900000
Total energy: -233.612489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.612489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.612489 (E_RNA)
where:
Base-Base interactions energy: -154.881
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.289
local terms energy: -78.442946
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -226.950745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950745 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.325
local terms energy: -76.326001
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -190.121682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.121682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.121682 (E_RNA)
where:
Base-Base interactions energy: -123.175
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.002
local terms energy: -66.944539
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -200.782317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.782317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.782317 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.125
local terms energy: -62.604520
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -195.532583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.532583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.532583 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.063
local terms energy: -65.921646
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -205.748329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.748329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748329 (E_RNA)
where:
Base-Base interactions energy: -128.629
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.285
local terms energy: -76.834860
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -126.938276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.938276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.938276 (E_RNA)
where:
Base-Base interactions energy: -72.779
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.096
local terms energy: -54.063777
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -6.109
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: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -95.389468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389468 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.117
local terms energy: -48.461054
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -112.120448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.120448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.120448 (E_RNA)
where:
Base-Base interactions energy: -55.670
where: short stacking energy: -39.142
Base-Backbone interact. energy: -0.734
local terms energy: -55.716753
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -74.694497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.694497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.694497 (E_RNA)
where:
Base-Base interactions energy: -23.576
where: short stacking energy: -23.576
Base-Backbone interact. energy: -0.116
local terms energy: -51.002802
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -219.072573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.072573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.072573 (E_RNA)
where:
Base-Base interactions energy: -146.823
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.161
local terms energy: -72.088957
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -6.578
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: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -220.192688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.192688 (E_RNA)
where:
Base-Base interactions energy: -143.262
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.520
local terms energy: -76.410522
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -188.138203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.138203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.138203 (E_RNA)
where:
Base-Base interactions energy: -126.966
where: short stacking energy: -50.382
Base-Backbone interact. energy: 1.203
local terms energy: -62.374876
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -196.984135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.984135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.984135 (E_RNA)
where:
Base-Base interactions energy: -125.828
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.001
local terms energy: -71.155108
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -10.098
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: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -189.504571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.504571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.504571 (E_RNA)
where:
Base-Base interactions energy: -126.926
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.214
local terms energy: -62.364761
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -188.726889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.726889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.726889 (E_RNA)
where:
Base-Base interactions energy: -127.175
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.589
local terms energy: -60.962376
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -127.125913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.125913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.125913 (E_RNA)
where:
Base-Base interactions energy: -86.495
where: short stacking energy: -47.969
Base-Backbone interact. energy: -0.312
local terms energy: -40.319017
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -2.133
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -92.545057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545057 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -31.145
Base-Backbone interact. energy: -0.288
local terms energy: -55.820130
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -76.584616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.584616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.584616 (E_RNA)
where:
Base-Base interactions energy: -37.163
where: short stacking energy: -10.663
Base-Backbone interact. energy: -0.104
local terms energy: -39.317539
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -77.991715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991715 (E_RNA)
where:
Base-Base interactions energy: -32.463
where: short stacking energy: -18.835
Base-Backbone interact. energy: -0.721
local terms energy: -44.808021
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -226.295807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.295807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.295807 (E_RNA)
where:
Base-Base interactions energy: -148.869
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.017
local terms energy: -77.409936
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -219.965366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.965366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.965366 (E_RNA)
where:
Base-Base interactions energy: -145.308
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.199
local terms energy: -74.457804
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -198.107591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.107591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.107591 (E_RNA)
where:
Base-Base interactions energy: -131.386
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.290
local terms energy: -66.432264
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -208.027520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.027520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.027520 (E_RNA)
where:
Base-Base interactions energy: -138.807
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.780
local terms energy: -68.440517
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -193.863239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.863239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.863239 (E_RNA)
where:
Base-Base interactions energy: -121.837
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.048
local terms energy: -71.977626
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.283
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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -180.316298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.316298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.316298 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -47.919
Base-Backbone interact. energy: -1.264
local terms energy: -60.098334
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -6.127
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: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -91.195199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.195199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.195199 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -35.300
Base-Backbone interact. energy: 0.224
local terms energy: -52.427121
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -105.576546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576546 (E_RNA)
where:
Base-Base interactions energy: -60.603
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.706
local terms energy: -44.267642
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -7.607
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.241
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: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -81.107288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107288 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -40.622
Base-Backbone interact. energy: -0.054
local terms energy: -41.230926
where:
bonds (distance) C4'-P energy: -4.209
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.511489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.511489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.511489 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -14.204
Base-Backbone interact. energy: -0.039
local terms energy: -49.300454
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -5.357
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -231.088920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.088920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.088920 (E_RNA)
where:
Base-Base interactions energy: -154.652
where: short stacking energy: -71.202
Base-Backbone interact. energy: -0.029
local terms energy: -76.407580
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -229.670985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.670985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.670985 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.169
local terms energy: -78.155425
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -212.702772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.702772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.702772 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -66.910
Base-Backbone interact. energy: -0.009
local terms energy: -75.918375
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.999
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: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -224.481319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.481319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.481319 (E_RNA)
where:
Base-Base interactions energy: -155.204
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.293
local terms energy: -68.983701
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -213.805870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.805870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.805870 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.179
local terms energy: -70.932130
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -212.007126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007126 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.106
local terms energy: -72.411262
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -13.631
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: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -87.721127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721127 (E_RNA)
where:
Base-Base interactions energy: -36.630
where: short stacking energy: -17.051
Base-Backbone interact. energy: -0.195
local terms energy: -50.896262
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: 5.115
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -105.805118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.805118 (E_RNA)
where:
Base-Base interactions energy: -59.849
where: short stacking energy: -28.497
Base-Backbone interact. energy: -0.207
local terms energy: -45.749025
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -87.871439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.871439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.871439 (E_RNA)
where:
Base-Base interactions energy: -38.144
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.281
local terms energy: -49.446279
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -89.895084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.895084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.895084 (E_RNA)
where:
Base-Base interactions energy: -48.764
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.544
local terms energy: -40.586470
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -228.794933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794933 (E_RNA)
where:
Base-Base interactions energy: -150.963
where: short stacking energy: -67.935
Base-Backbone interact. energy: -0.039
local terms energy: -77.792343
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -226.283887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283887 (E_RNA)
where:
Base-Base interactions energy: -152.498
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.028
local terms energy: -73.757911
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -191.386118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.386118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.386118 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.003
local terms energy: -59.589008
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -215.491562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.491562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.491562 (E_RNA)
where:
Base-Base interactions energy: -142.581
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.014
local terms energy: -72.897312
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -202.670907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.670907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.670907 (E_RNA)
where:
Base-Base interactions energy: -139.841
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.253
local terms energy: -62.577522
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -214.070887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.070887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070887 (E_RNA)
where:
Base-Base interactions energy: -145.936
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.002
local terms energy: -68.133290
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -137.194539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.194539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.194539 (E_RNA)
where:
Base-Base interactions energy: -72.685
where: short stacking energy: -42.442
Base-Backbone interact. energy: -0.298
local terms energy: -64.211250
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -104.453118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.453118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.453118 (E_RNA)
where:
Base-Base interactions energy: -54.589
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.074
local terms energy: -49.790005
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -89.451641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.451641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.451641 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.202
local terms energy: -50.535631
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -1.455
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: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -80.469249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.469249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.469249 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -24.160
Base-Backbone interact. energy: -0.330
local terms energy: -44.406487
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.562
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -231.709591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.709591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.709591 (E_RNA)
where:
Base-Base interactions energy: -150.103
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.006
local terms energy: -81.600089
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -22.689
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -226.211956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.211956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.211956 (E_RNA)
where:
Base-Base interactions energy: -150.891
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.002
local terms energy: -75.319392
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -188.457880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.457880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.457880 (E_RNA)
where:
Base-Base interactions energy: -122.777
where: short stacking energy: -50.139
Base-Backbone interact. energy: -1.437
local terms energy: -64.243540
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -10.783
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -220.783774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.783774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.783774 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.001
local terms energy: -75.200753
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -213.852588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852588 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.554
local terms energy: -72.448228
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -204.129543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.129543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.129543 (E_RNA)
where:
Base-Base interactions energy: -136.488
where: short stacking energy: -56.060
Base-Backbone interact. energy: -1.092
local terms energy: -66.550004
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -146.865147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.865147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.865147 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.198
local terms energy: -57.072098
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -9.068
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -86.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.322866 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.134
local terms energy: -50.924641
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -3.880
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: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -96.591647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591647 (E_RNA)
where:
Base-Base interactions energy: -33.744
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.157
local terms energy: -62.690228
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -72.571049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.571049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.571049 (E_RNA)
where:
Base-Base interactions energy: -22.254
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.271
local terms energy: -50.046435
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -234.542973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.542973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.542973 (E_RNA)
where:
Base-Base interactions energy: -150.587
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.001
local terms energy: -83.954892
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -220.793898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.793898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.793898 (E_RNA)
where:
Base-Base interactions energy: -147.027
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.003
local terms energy: -73.763796
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -224.379522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379522 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.137
local terms energy: -84.412048
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -182.668829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.668829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.668829 (E_RNA)
where:
Base-Base interactions energy: -114.821
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.263
local terms energy: -67.584786
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -5.216
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: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -202.040573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.040573 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.009
local terms energy: -67.136013
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -178.253155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253155 (E_RNA)
where:
Base-Base interactions energy: -118.850
where: short stacking energy: -54.905
Base-Backbone interact. energy: -0.510
local terms energy: -58.893816
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -140.902567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.902567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.902567 (E_RNA)
where:
Base-Base interactions energy: -81.025
where: short stacking energy: -48.270
Base-Backbone interact. energy: -0.531
local terms energy: -59.346505
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -11.123
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: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -131.763306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.763306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.763306 (E_RNA)
where:
Base-Base interactions energy: -73.453
where: short stacking energy: -38.065
Base-Backbone interact. energy: -0.047
local terms energy: -58.263462
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -7.369
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: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -77.006564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.006564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.006564 (E_RNA)
where:
Base-Base interactions energy: -30.015
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.212
local terms energy: -46.778725
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.576384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.576384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.576384 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.402
local terms energy: -47.097563
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -231.561026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.561026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.561026 (E_RNA)
where:
Base-Base interactions energy: -156.025
where: short stacking energy: -76.841
Base-Backbone interact. energy: -0.005
local terms energy: -75.530830
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -230.269263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.269263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.269263 (E_RNA)
where:
Base-Base interactions energy: -153.430
where: short stacking energy: -76.449
Base-Backbone interact. energy: -0.054
local terms energy: -76.785314
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -219.628861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.628861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.628861 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.056
local terms energy: -76.424561
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -207.452815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.452815 (E_RNA)
where:
Base-Base interactions energy: -135.324
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.083
local terms energy: -72.045327
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -185.784603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.784603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.784603 (E_RNA)
where:
Base-Base interactions energy: -121.784
where: short stacking energy: -50.941
Base-Backbone interact. energy: -0.182
local terms energy: -63.818068
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.607
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: 309
Temperature: 1.150000
Total energy: -199.952908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.952908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.952908 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.642
local terms energy: -69.649713
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -18.091
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: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -129.467798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.467798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.467798 (E_RNA)
where:
Base-Base interactions energy: -80.242
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.078
local terms energy: -49.148421
where:
bonds (distance) C4'-P energy: -4.775
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -144.875942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.875942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.875942 (E_RNA)
where:
Base-Base interactions energy: -87.031
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.102
local terms energy: -57.743038
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -100.471461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.471461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.471461 (E_RNA)
where:
Base-Base interactions energy: -50.839
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.117
local terms energy: -49.515758
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -1.895
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: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.854879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.854879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.854879 (E_RNA)
where:
Base-Base interactions energy: -31.213
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.084
local terms energy: -44.557954
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -228.171441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.171441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.171441 (E_RNA)
where:
Base-Base interactions energy: -149.926
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.061
local terms energy: -78.183831
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -223.588320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588320 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.022
local terms energy: -76.185682
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -215.410314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410314 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.237
local terms energy: -71.449299
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -221.342171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.342171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.342171 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.012
local terms energy: -77.418928
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -202.602333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602333 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.043
local terms energy: -78.420484
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -178.945845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.945845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.945845 (E_RNA)
where:
Base-Base interactions energy: -113.989
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.132
local terms energy: -64.824388
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -12.116
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: 310
Temperature: 1.200000
Total energy: -135.851065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.851065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.851065 (E_RNA)
where:
Base-Base interactions energy: -82.941
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.072
local terms energy: -52.837249
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -130.335063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.335063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.335063 (E_RNA)
where:
Base-Base interactions energy: -76.123
where: short stacking energy: -30.654
Base-Backbone interact. energy: -1.146
local terms energy: -53.066309
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -4.642
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: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -115.653632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.653632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.653632 (E_RNA)
where:
Base-Base interactions energy: -69.983
where: short stacking energy: -35.893
Base-Backbone interact. energy: -1.715
local terms energy: -43.955923
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -5.745
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: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -74.647667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.647667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.647667 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -25.419
Base-Backbone interact. energy: -0.174
local terms energy: -42.475019
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: 0.041
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: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -232.402651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.402651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.402651 (E_RNA)
where:
Base-Base interactions energy: -152.055
where: short stacking energy: -77.015
Base-Backbone interact. energy: -0.011
local terms energy: -80.336978
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -223.178230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.178230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.178230 (E_RNA)
where:
Base-Base interactions energy: -143.667
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.135
local terms energy: -79.375852
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -222.588211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.588211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.588211 (E_RNA)
where:
Base-Base interactions energy: -147.280
where: short stacking energy: -74.851
Base-Backbone interact. energy: -0.575
local terms energy: -74.733583
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -212.655454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655454 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.001
local terms energy: -71.141125
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -229.237955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.237955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.237955 (E_RNA)
where:
Base-Base interactions energy: -150.781
where: short stacking energy: -77.756
Base-Backbone interact. energy: -0.292
local terms energy: -78.164610
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.433
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: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -174.029499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.029499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.029499 (E_RNA)
where:
Base-Base interactions energy: -114.906
where: short stacking energy: -47.086
Base-Backbone interact. energy: 0.424
local terms energy: -59.548244
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -127.331039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.331039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.331039 (E_RNA)
where:
Base-Base interactions energy: -70.909
where: short stacking energy: -41.113
Base-Backbone interact. energy: 2.780
local terms energy: -59.201918
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -6.226
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -95.195621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195621 (E_RNA)
where:
Base-Base interactions energy: -45.779
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.178
local terms energy: -49.239188
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -9.731
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -127.544148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.544148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.544148 (E_RNA)
where:
Base-Base interactions energy: -77.439
where: short stacking energy: -42.097
Base-Backbone interact. energy: 0.324
local terms energy: -50.428796
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -7.946
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: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -79.817919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.817919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.817919 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.142
local terms energy: -41.220879
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -230.603897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.603897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.603897 (E_RNA)
where:
Base-Base interactions energy: -154.938
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.038
local terms energy: -75.627753
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -20.885
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: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -226.843577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.843577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.843577 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.602
local terms energy: -80.416336
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -215.225362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.225362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.225362 (E_RNA)
where:
Base-Base interactions energy: -145.347
where: short stacking energy: -67.536
Base-Backbone interact. energy: -0.404
local terms energy: -69.474689
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -20.885
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: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -210.395816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.395816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.395816 (E_RNA)
where:
Base-Base interactions energy: -136.031
where: short stacking energy: -69.788
Base-Backbone interact. energy: -0.171
local terms energy: -74.193405
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -213.057402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.057402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.057402 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.254
local terms energy: -71.922474
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -20.191
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: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -177.539367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.539367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.539367 (E_RNA)
where:
Base-Base interactions energy: -108.396
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.099
local terms energy: -69.044237
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -125.583659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.583659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.583659 (E_RNA)
where:
Base-Base interactions energy: -70.084
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.609
local terms energy: -54.890112
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -143.418847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.418847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.418847 (E_RNA)
where:
Base-Base interactions energy: -84.025
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.664
local terms energy: -58.730140
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -8.906
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: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -78.242555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.242555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.242555 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.115
local terms energy: -51.090570
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -96.771960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.771960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.771960 (E_RNA)
where:
Base-Base interactions energy: -47.032
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.082
local terms energy: -49.658121
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -223.891454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.891454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.891454 (E_RNA)
where:
Base-Base interactions energy: -144.619
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.038
local terms energy: -79.234098
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -228.636930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.636930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.636930 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.111
local terms energy: -80.145756
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -20.953
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: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -220.507181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.507181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.507181 (E_RNA)
where:
Base-Base interactions energy: -147.029
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.006
local terms energy: -73.472399
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -18.674
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: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -221.641910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641910 (E_RNA)
where:
Base-Base interactions energy: -148.892
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.041
local terms energy: -72.708330
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -200.076059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.076059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.076059 (E_RNA)
where:
Base-Base interactions energy: -128.534
where: short stacking energy: -51.115
Base-Backbone interact. energy: -0.008
local terms energy: -71.534698
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -193.382776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382776 (E_RNA)
where:
Base-Base interactions energy: -131.695
where: short stacking energy: -59.506
Base-Backbone interact. energy: 1.010
local terms energy: -62.697232
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -143.013632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.013632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.013632 (E_RNA)
where:
Base-Base interactions energy: -86.858
where: short stacking energy: -41.663
Base-Backbone interact. energy: -0.310
local terms energy: -55.845945
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -5.848
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -118.471792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.471792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.471792 (E_RNA)
where:
Base-Base interactions energy: -66.285
where: short stacking energy: -35.717
Base-Backbone interact. energy: 0.409
local terms energy: -52.595885
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -90.392519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392519 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -37.272
Base-Backbone interact. energy: -0.153
local terms energy: -50.981150
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -74.795991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.795991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.795991 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -20.478
Base-Backbone interact. energy: -0.244
local terms energy: -32.304141
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: 2.813
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: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -229.279738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.279738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.279738 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.352
local terms energy: -76.860828
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -226.548464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.548464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.548464 (E_RNA)
where:
Base-Base interactions energy: -151.866
where: short stacking energy: -73.227
Base-Backbone interact. energy: -0.375
local terms energy: -74.307531
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.916
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: 314
Temperature: 1.000000
Total energy: -220.645798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645798 (E_RNA)
where:
Base-Base interactions energy: -149.770
where: short stacking energy: -71.925
Base-Backbone interact. energy: -0.009
local terms energy: -70.866897
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -219.119768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119768 (E_RNA)
where:
Base-Base interactions energy: -148.704
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.159
local terms energy: -70.256801
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -186.041837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.041837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.041837 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.000
local terms energy: -63.713291
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -16.260
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: 314
Temperature: 1.150000
Total energy: -196.033597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.033597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.033597 (E_RNA)
where:
Base-Base interactions energy: -134.860
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.014
local terms energy: -61.159738
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -151.648282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.648282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.648282 (E_RNA)
where:
Base-Base interactions energy: -91.113
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.102
local terms energy: -60.432644
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -82.314328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.314328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.314328 (E_RNA)
where:
Base-Base interactions energy: -30.536
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.343
local terms energy: -51.435424
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -82.013943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013943 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -24.547
Base-Backbone interact. energy: -1.504
local terms energy: -43.878576
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -5.558
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -79.583623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.583623 (E_RNA)
where:
Base-Base interactions energy: -27.799
where: short stacking energy: -23.558
Base-Backbone interact. energy: -0.600
local terms energy: -51.185395
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -5.076
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -228.501870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.501870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.501870 (E_RNA)
where:
Base-Base interactions energy: -150.490
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.012
local terms energy: -78.000084
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -229.050010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.050010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.050010 (E_RNA)
where:
Base-Base interactions energy: -147.771
where: short stacking energy: -75.156
Base-Backbone interact. energy: -0.003
local terms energy: -81.275606
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -225.583128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.583128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.583128 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -79.667
Base-Backbone interact. energy: -0.013
local terms energy: -76.375878
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -19.295
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -186.972199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.972199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.972199 (E_RNA)
where:
Base-Base interactions energy: -120.108
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.016
local terms energy: -66.848256
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -4.826
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: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -212.134363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.134363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.134363 (E_RNA)
where:
Base-Base interactions energy: -145.432
where: short stacking energy: -72.593
Base-Backbone interact. energy: -0.544
local terms energy: -66.158338
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -19.920
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: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -210.942023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942023 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.069
local terms energy: -81.074252
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -20.868
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: 315
Temperature: 1.200000
Total energy: -142.088895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.088895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.088895 (E_RNA)
where:
Base-Base interactions energy: -85.327
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.184
local terms energy: -56.577514
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -92.179325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179325 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.767
local terms energy: -49.391121
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -7.378
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: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -80.342723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342723 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -17.707
Base-Backbone interact. energy: -0.114
local terms energy: -47.428789
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -75.160574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.160574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.160574 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -22.774
Base-Backbone interact. energy: -0.747
local terms energy: -43.828657
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -2.534
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: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -225.900975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.900975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.900975 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.064
local terms energy: -80.895371
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -228.397068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397068 (E_RNA)
where:
Base-Base interactions energy: -155.099
where: short stacking energy: -78.065
Base-Backbone interact. energy: -0.601
local terms energy: -72.697170
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -23.689
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -186.869598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.869598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.869598 (E_RNA)
where:
Base-Base interactions energy: -118.819
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.502
local terms energy: -67.549044
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -213.267510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.267510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.267510 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.022
local terms energy: -77.313622
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.618
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: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -211.738678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.738678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.738678 (E_RNA)
where:
Base-Base interactions energy: -140.039
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.287
local terms energy: -71.413287
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -185.097301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.097301 (E_RNA)
where:
Base-Base interactions energy: -113.249
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.001
local terms energy: -71.847632
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -132.697917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.697917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.697917 (E_RNA)
where:
Base-Base interactions energy: -81.736
where: short stacking energy: -38.784
Base-Backbone interact. energy: -0.333
local terms energy: -50.628395
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -5.417
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: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -88.160222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160222 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.893
local terms energy: -56.319177
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -3.870
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: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -88.069577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.069577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.069577 (E_RNA)
where:
Base-Base interactions energy: -49.184
where: short stacking energy: -40.876
Base-Backbone interact. energy: 2.904
local terms energy: -41.789994
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -83.360389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360389 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -17.041
Base-Backbone interact. energy: -0.338
local terms energy: -44.428011
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -231.771390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.771390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.771390 (E_RNA)
where:
Base-Base interactions energy: -150.693
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.005
local terms energy: -81.073436
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -226.802786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.802786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.802786 (E_RNA)
where:
Base-Base interactions energy: -146.997
where: short stacking energy: -69.566
Base-Backbone interact. energy: -0.071
local terms energy: -79.734542
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.489
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: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -193.296285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.296285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.296285 (E_RNA)
where:
Base-Base interactions energy: -127.531
where: short stacking energy: -61.312
Base-Backbone interact. energy: -0.012
local terms energy: -65.753159
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -221.941588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941588 (E_RNA)
where:
Base-Base interactions energy: -146.253
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.004
local terms energy: -75.684512
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -203.688411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.688411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.688411 (E_RNA)
where:
Base-Base interactions energy: -128.673
where: short stacking energy: -59.814
Base-Backbone interact. energy: -0.871
local terms energy: -74.144456
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -184.332991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.332991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.332991 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.099
local terms energy: -68.678807
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -129.812522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.812522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.812522 (E_RNA)
where:
Base-Base interactions energy: -80.581
where: short stacking energy: -48.054
Base-Backbone interact. energy: -0.029
local terms energy: -49.202824
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -2.039
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -80.379781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.379781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.379781 (E_RNA)
where:
Base-Base interactions energy: -28.624
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.150
local terms energy: -51.605510
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: 1.226
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: 317
Temperature: 1.300000
Total energy: -87.704816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704816 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.094
local terms energy: -57.502541
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -77.842387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.842387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.842387 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.288
local terms energy: -41.263453
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -230.742454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.742454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.742454 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -77.713
Base-Backbone interact. energy: -0.164
local terms energy: -83.251583
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -224.988479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.988479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.988479 (E_RNA)
where:
Base-Base interactions energy: -146.954
where: short stacking energy: -81.298
Base-Backbone interact. energy: -0.238
local terms energy: -77.796483
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -216.424574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.424574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.424574 (E_RNA)
where:
Base-Base interactions energy: -140.492
where: short stacking energy: -74.239
Base-Backbone interact. energy: -0.069
local terms energy: -75.863537
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -182.045874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.045874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.045874 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.090
local terms energy: -55.493906
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.303
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: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -197.807695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807695 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.006
local terms energy: -73.201332
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -172.387603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.387603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.387603 (E_RNA)
where:
Base-Base interactions energy: -105.070
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.094
local terms energy: -67.223504
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -11.986
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: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -152.482397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.482397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.482397 (E_RNA)
where:
Base-Base interactions energy: -92.687
where: short stacking energy: -50.065
Base-Backbone interact. energy: -0.001
local terms energy: -59.794495
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -88.805442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.805442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.805442 (E_RNA)
where:
Base-Base interactions energy: -34.234
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.181
local terms energy: -54.390464
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -95.959492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.959492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.959492 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -25.222
Base-Backbone interact. energy: -0.137
local terms energy: -56.924471
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -84.417145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417145 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.121
local terms energy: -54.916034
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -232.010053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010053 (E_RNA)
where:
Base-Base interactions energy: -153.288
where: short stacking energy: -74.960
Base-Backbone interact. energy: -0.013
local terms energy: -78.708856
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -225.502292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.502292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.502292 (E_RNA)
where:
Base-Base interactions energy: -144.995
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.002
local terms energy: -80.505796
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -219.902902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.902902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.902902 (E_RNA)
where:
Base-Base interactions energy: -144.966
where: short stacking energy: -73.311
Base-Backbone interact. energy: 0.819
local terms energy: -75.756070
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -223.755478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.755478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.755478 (E_RNA)
where:
Base-Base interactions energy: -147.405
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.002
local terms energy: -76.348607
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -19.424
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: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -198.717589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.717589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.717589 (E_RNA)
where:
Base-Base interactions energy: -124.762
where: short stacking energy: -52.107
Base-Backbone interact. energy: 0.426
local terms energy: -74.381225
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -152.042089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.042089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.042089 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.002
local terms energy: -61.068093
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -171.776273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.776273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.776273 (E_RNA)
where:
Base-Base interactions energy: -116.329
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.676
local terms energy: -54.771290
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -90.654052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654052 (E_RNA)
where:
Base-Base interactions energy: -40.586
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.729
local terms energy: -49.338880
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -82.268439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268439 (E_RNA)
where:
Base-Base interactions energy: -31.457
where: short stacking energy: -29.428
Base-Backbone interact. energy: 1.100
local terms energy: -51.911285
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.812
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -80.982077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.982077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.982077 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.090
local terms energy: -48.651323
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -231.891662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.891662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.891662 (E_RNA)
where:
Base-Base interactions energy: -147.880
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.903
local terms energy: -83.108249
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -212.663111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.663111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663111 (E_RNA)
where:
Base-Base interactions energy: -137.496
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.014
local terms energy: -75.153169
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -19.060
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: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -225.302742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.302742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.302742 (E_RNA)
where:
Base-Base interactions energy: -148.747
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.640
local terms energy: -75.916159
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -225.332068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.332068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.332068 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.943
local terms energy: -79.314926
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -150.990461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.990461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990461 (E_RNA)
where:
Base-Base interactions energy: -94.436
where: short stacking energy: -50.030
Base-Backbone interact. energy: -0.438
local terms energy: -56.117181
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -5.607
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -174.295979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.295979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.295979 (E_RNA)
where:
Base-Base interactions energy: -109.511
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.097
local terms energy: -64.687928
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -184.624546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.624546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.624546 (E_RNA)
where:
Base-Base interactions energy: -117.819
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.116
local terms energy: -66.689200
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -6.722
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: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -81.864901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.864901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.864901 (E_RNA)
where:
Base-Base interactions energy: -29.505
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.176
local terms energy: -52.183739
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -81.439797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439797 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -26.120
Base-Backbone interact. energy: -0.639
local terms energy: -41.584550
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -6.867
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -83.657549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657549 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -25.905
Base-Backbone interact. energy: 0.091
local terms energy: -55.362549
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -232.990264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.990264 (E_RNA)
where:
Base-Base interactions energy: -154.010
where: short stacking energy: -74.100
Base-Backbone interact. energy: -0.127
local terms energy: -78.852943
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -228.254368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.254368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.254368 (E_RNA)
where:
Base-Base interactions energy: -151.810
where: short stacking energy: -77.283
Base-Backbone interact. energy: -0.078
local terms energy: -76.365905
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -221.617973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617973 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.005
local terms energy: -75.248457
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -217.014669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014669 (E_RNA)
where:
Base-Base interactions energy: -139.682
where: short stacking energy: -66.654
Base-Backbone interact. energy: -1.302
local terms energy: -76.031112
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.406
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: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -146.062363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.062363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.062363 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -43.592
Base-Backbone interact. energy: -0.021
local terms energy: -54.925013
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -194.308913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.308913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.308913 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.813
local terms energy: -68.571087
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -169.043969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.043969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.043969 (E_RNA)
where:
Base-Base interactions energy: -104.713
where: short stacking energy: -41.998
Base-Backbone interact. energy: -0.250
local terms energy: -64.081086
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -8.543
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: 321
Temperature: 1.250000
Total energy: -81.022956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.022956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.022956 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.152
local terms energy: -51.959439
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -84.997264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997264 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -34.559
Base-Backbone interact. energy: 0.374
local terms energy: -49.519322
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -70.055910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.055910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.055910 (E_RNA)
where:
Base-Base interactions energy: -25.262
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.809
local terms energy: -43.984968
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -226.555497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.555497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.555497 (E_RNA)
where:
Base-Base interactions energy: -150.852
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.001
local terms energy: -75.702895
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -228.428912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.428912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.428912 (E_RNA)
where:
Base-Base interactions energy: -152.415
where: short stacking energy: -65.920
Base-Backbone interact. energy: 0.390
local terms energy: -76.403867
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -8.940
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: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -221.441737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.441737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.441737 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -71.336
Base-Backbone interact. energy: -0.151
local terms energy: -69.224048
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.864
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: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -200.030521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.030521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.030521 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.003
local terms energy: -65.480582
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -213.183402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.183402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.183402 (E_RNA)
where:
Base-Base interactions energy: -140.519
where: short stacking energy: -60.107
Base-Backbone interact. energy: 0.729
local terms energy: -73.393534
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -148.896564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.896564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.896564 (E_RNA)
where:
Base-Base interactions energy: -88.930
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.121
local terms energy: -59.845630
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -9.635
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: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -181.233260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.233260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.233260 (E_RNA)
where:
Base-Base interactions energy: -117.721
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.122
local terms energy: -63.389776
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -94.175022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175022 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -41.679
Base-Backbone interact. energy: 0.080
local terms energy: -51.540612
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: 0.009
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -77.780241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.780241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.780241 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -30.677
Base-Backbone interact. energy: -0.222
local terms energy: -44.263358
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: 1.472
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -70.251222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.251222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.251222 (E_RNA)
where:
Base-Base interactions energy: -22.926
where: short stacking energy: -22.926
Base-Backbone interact. energy: -0.164
local terms energy: -47.161582
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -230.288896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288896 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.004
local terms energy: -80.077614
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.716
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: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -221.949484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.949484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.949484 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -77.046
Base-Backbone interact. energy: -0.003
local terms energy: -76.318540
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -214.045516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.045516 (E_RNA)
where:
Base-Base interactions energy: -141.666
where: short stacking energy: -63.667
Base-Backbone interact. energy: -0.255
local terms energy: -72.124554
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -214.929213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.929213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.929213 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -72.909
Base-Backbone interact. energy: -0.084
local terms energy: -67.166024
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -20.569
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -193.030336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.030336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.030336 (E_RNA)
where:
Base-Base interactions energy: -122.546
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.220
local terms energy: -70.264345
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -174.638264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.638264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.638264 (E_RNA)
where:
Base-Base interactions energy: -108.297
where: short stacking energy: -47.634
Base-Backbone interact. energy: -0.865
local terms energy: -65.475717
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -137.579591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.579591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.579591 (E_RNA)
where:
Base-Base interactions energy: -69.651
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.175
local terms energy: -67.754129
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -9.924
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: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -78.842027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.842027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.842027 (E_RNA)
where:
Base-Base interactions energy: -33.077
where: short stacking energy: -33.077
Base-Backbone interact. energy: -0.099
local terms energy: -45.666159
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -77.889424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.889424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.889424 (E_RNA)
where:
Base-Base interactions energy: -25.703
where: short stacking energy: -25.703
Base-Backbone interact. energy: -0.018
local terms energy: -52.168794
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -88.462254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.462254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.462254 (E_RNA)
where:
Base-Base interactions energy: -36.589
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.104
local terms energy: -51.768926
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -225.402713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.402713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.402713 (E_RNA)
where:
Base-Base interactions energy: -146.649
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.190
local terms energy: -78.564139
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -226.266187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266187 (E_RNA)
where:
Base-Base interactions energy: -146.174
where: short stacking energy: -71.598
Base-Backbone interact. energy: -0.003
local terms energy: -80.089301
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -219.146882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146882 (E_RNA)
where:
Base-Base interactions energy: -146.614
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.602
local terms energy: -71.931226
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -197.978139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.978139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.978139 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -69.345
Base-Backbone interact. energy: 1.225
local terms energy: -70.920580
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -188.679285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679285 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.001
local terms energy: -69.706297
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -208.045715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045715 (E_RNA)
where:
Base-Base interactions energy: -140.199
where: short stacking energy: -72.108
Base-Backbone interact. energy: -0.000
local terms energy: -67.846331
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -96.259931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.259931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.259931 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.865
local terms energy: -46.973296
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -0.251
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: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -138.810333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.810333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.810333 (E_RNA)
where:
Base-Base interactions energy: -85.224
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.173
local terms energy: -53.412858
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -88.021806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.021806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.021806 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.229
local terms energy: -50.285905
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -95.514646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.514646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.514646 (E_RNA)
where:
Base-Base interactions energy: -37.228
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.413
local terms energy: -57.873616
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -219.218312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.218312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.218312 (E_RNA)
where:
Base-Base interactions energy: -144.078
where: short stacking energy: -69.139
Base-Backbone interact. energy: -1.274
local terms energy: -73.866705
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -219.930914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.930914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.930914 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.000
local terms energy: -73.476975
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -223.874453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.874453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.874453 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.001
local terms energy: -73.046944
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -21.354
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: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -188.320168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.320168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.320168 (E_RNA)
where:
Base-Base interactions energy: -117.541
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.059
local terms energy: -70.720514
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -194.254837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.254837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.254837 (E_RNA)
where:
Base-Base interactions energy: -130.913
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.035
local terms energy: -63.306902
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -8.640
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: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -196.161447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.161447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.161447 (E_RNA)
where:
Base-Base interactions energy: -129.145
where: short stacking energy: -58.649
Base-Backbone interact. energy: 1.260
local terms energy: -68.275977
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -90.304637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.304637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.304637 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.019
local terms energy: -47.638106
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -137.430193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.430193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.430193 (E_RNA)
where:
Base-Base interactions energy: -83.104
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.194
local terms energy: -54.132089
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -95.476317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.476317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.476317 (E_RNA)
where:
Base-Base interactions energy: -39.637
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.007
local terms energy: -55.832318
where:
bonds (distance) C4'-P energy: -7.413
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.841
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: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -74.517813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.517813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.517813 (E_RNA)
where:
Base-Base interactions energy: -29.157
where: short stacking energy: -13.675
Base-Backbone interact. energy: -0.390
local terms energy: -44.970987
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: 4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -235.613967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.613967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.613967 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -77.582
Base-Backbone interact. energy: -0.002
local terms energy: -82.341387
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -223.089412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.089412 (E_RNA)
where:
Base-Base interactions energy: -150.448
where: short stacking energy: -75.867
Base-Backbone interact. energy: -0.004
local terms energy: -72.637715
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -219.730068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.730068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.730068 (E_RNA)
where:
Base-Base interactions energy: -138.198
where: short stacking energy: -70.871
Base-Backbone interact. energy: 0.558
local terms energy: -82.089656
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -194.311795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.311795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.311795 (E_RNA)
where:
Base-Base interactions energy: -127.895
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.007
local terms energy: -66.410572
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -216.513286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.513286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.513286 (E_RNA)
where:
Base-Base interactions energy: -142.991
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.042
local terms energy: -73.480035
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -204.037008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.037008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.037008 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.643
local terms energy: -71.423147
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -141.312144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.312144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.312144 (E_RNA)
where:
Base-Base interactions energy: -91.986
where: short stacking energy: -37.290
Base-Backbone interact. energy: 0.512
local terms energy: -49.838041
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -9.727
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: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -86.776709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776709 (E_RNA)
where:
Base-Base interactions energy: -42.401
where: short stacking energy: -30.067
Base-Backbone interact. energy: -0.227
local terms energy: -44.149153
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -2.412
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: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -87.519499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519499 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -33.826
Base-Backbone interact. energy: -1.228
local terms energy: -49.057201
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -1.697
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: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.949388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.949388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.949388 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.122
local terms energy: -40.648541
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -229.453757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.453757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.453757 (E_RNA)
where:
Base-Base interactions energy: -153.202
where: short stacking energy: -74.515
Base-Backbone interact. energy: 1.021
local terms energy: -77.272962
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -218.741609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.741609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741609 (E_RNA)
where:
Base-Base interactions energy: -140.057
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.002
local terms energy: -78.682735
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -215.999968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.999968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.999968 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -75.718
Base-Backbone interact. energy: 0.908
local terms energy: -75.043480
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -204.060628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.060628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.060628 (E_RNA)
where:
Base-Base interactions energy: -128.387
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.212
local terms energy: -75.461794
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -179.828535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.828535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.828535 (E_RNA)
where:
Base-Base interactions energy: -110.016
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.303
local terms energy: -69.509969
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -202.216083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.216083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.216083 (E_RNA)
where:
Base-Base interactions energy: -131.162
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.132
local terms energy: -70.922420
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -149.818424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.818424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.818424 (E_RNA)
where:
Base-Base interactions energy: -94.298
where: short stacking energy: -43.940
Base-Backbone interact. energy: 0.366
local terms energy: -55.886579
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -102.105088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.105088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.105088 (E_RNA)
where:
Base-Base interactions energy: -41.204
where: short stacking energy: -30.339
Base-Backbone interact. energy: -0.005
local terms energy: -60.895090
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -114.892434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.892434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.892434 (E_RNA)
where:
Base-Base interactions energy: -68.217
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.189
local terms energy: -46.486031
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -6.944
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -88.964866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964866 (E_RNA)
where:
Base-Base interactions energy: -29.854
where: short stacking energy: -29.854
Base-Backbone interact. energy: 0.456
local terms energy: -59.567314
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -234.195895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.195895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.195895 (E_RNA)
where:
Base-Base interactions energy: -149.100
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.000
local terms energy: -85.095810
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -233.276041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.276041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.276041 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -80.542
Base-Backbone interact. energy: -0.025
local terms energy: -77.359779
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -221.348434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.348434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.348434 (E_RNA)
where:
Base-Base interactions energy: -147.256
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.786
local terms energy: -73.306745
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -210.340588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.340588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.340588 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.240
local terms energy: -76.528861
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -22.034
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: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -204.658853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.658853 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -74.622
Base-Backbone interact. energy: 0.373
local terms energy: -66.083168
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -175.312684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.312684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.312684 (E_RNA)
where:
Base-Base interactions energy: -109.842
where: short stacking energy: -50.295
Base-Backbone interact. energy: -0.649
local terms energy: -64.821733
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -134.574952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.574952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.574952 (E_RNA)
where:
Base-Base interactions energy: -75.258
where: short stacking energy: -43.165
Base-Backbone interact. energy: -0.183
local terms energy: -59.133979
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -83.657253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657253 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -32.791
Base-Backbone interact. energy: 0.547
local terms energy: -47.388434
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -80.949071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.949071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.949071 (E_RNA)
where:
Base-Base interactions energy: -39.151
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.150
local terms energy: -41.647909
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -2.125
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -95.926129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.926129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.926129 (E_RNA)
where:
Base-Base interactions energy: -52.140
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.136
local terms energy: -43.650392
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: 4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -233.124377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124377 (E_RNA)
where:
Base-Base interactions energy: -159.811
where: short stacking energy: -82.483
Base-Backbone interact. energy: 0.098
local terms energy: -73.410765
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -215.491657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.491657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.491657 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.032
local terms energy: -77.530994
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -215.144996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.144996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.144996 (E_RNA)
where:
Base-Base interactions energy: -143.113
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.085
local terms energy: -71.947166
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -202.618372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.618372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.618372 (E_RNA)
where:
Base-Base interactions energy: -130.734
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.074
local terms energy: -71.810910
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -213.800674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.800674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.800674 (E_RNA)
where:
Base-Base interactions energy: -139.349
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.001
local terms energy: -74.449958
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -182.104896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.104896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.104896 (E_RNA)
where:
Base-Base interactions energy: -115.061
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.767
local terms energy: -66.276755
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -128.438122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.438122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.438122 (E_RNA)
where:
Base-Base interactions energy: -73.572
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.297
local terms energy: -54.569286
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -91.069942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.069942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.069942 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -26.010
Base-Backbone interact. energy: 0.027
local terms energy: -52.922653
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -76.260431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.260431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.260431 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -22.555
Base-Backbone interact. energy: -0.397
local terms energy: -43.138587
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -85.283707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283707 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.193
local terms energy: -54.014033
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -234.204133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.204133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.204133 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -77.041
Base-Backbone interact. energy: 0.644
local terms energy: -78.677259
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -223.387482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.387482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.387482 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.228
local terms energy: -77.160624
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -219.358822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.358822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.358822 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.042
local terms energy: -74.742082
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -195.865598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.865598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.865598 (E_RNA)
where:
Base-Base interactions energy: -124.915
where: short stacking energy: -59.246
Base-Backbone interact. energy: -0.154
local terms energy: -70.796869
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -10.299
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: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -188.448761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448761 (E_RNA)
where:
Base-Base interactions energy: -117.067
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.007
local terms energy: -71.373849
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.370
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -198.303250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.303250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.303250 (E_RNA)
where:
Base-Base interactions energy: -127.963
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.005
local terms energy: -70.335242
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -16.283
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -142.484062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.484062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.484062 (E_RNA)
where:
Base-Base interactions energy: -89.558
where: short stacking energy: -38.433
Base-Backbone interact. energy: 0.010
local terms energy: -52.936300
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -97.463940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.463940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.463940 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -42.507
Base-Backbone interact. energy: -0.202
local terms energy: -51.586430
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -81.578188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578188 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.041
local terms energy: -52.577274
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -0.903
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: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -72.410481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.410481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.410481 (E_RNA)
where:
Base-Base interactions energy: -27.347
where: short stacking energy: -18.317
Base-Backbone interact. energy: -0.690
local terms energy: -44.373766
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -4.919
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: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -231.720780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.720780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.720780 (E_RNA)
where:
Base-Base interactions energy: -155.832
where: short stacking energy: -73.882
Base-Backbone interact. energy: 0.239
local terms energy: -76.127795
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -18.685
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: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -228.551799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.551799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.551799 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -75.960
Base-Backbone interact. energy: 0.047
local terms energy: -80.682264
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -215.677347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677347 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.000
local terms energy: -79.103853
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -182.231850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.231850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.231850 (E_RNA)
where:
Base-Base interactions energy: -124.419
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.169
local terms energy: -57.644242
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -217.323834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323834 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.002
local terms energy: -69.509830
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -189.900523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.900523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.900523 (E_RNA)
where:
Base-Base interactions energy: -126.786
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.006
local terms energy: -63.108237
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.270
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -139.366505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.366505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.366505 (E_RNA)
where:
Base-Base interactions energy: -80.641
where: short stacking energy: -33.872
Base-Backbone interact. energy: -0.171
local terms energy: -58.554711
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -83.108712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.108712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.108712 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.065
local terms energy: -59.256267
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -2.530
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: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -83.009300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.009300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.009300 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.189
local terms energy: -51.624850
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.980262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980262 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -19.382
Base-Backbone interact. energy: 0.596
local terms energy: -54.441880
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -229.724498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.724498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.724498 (E_RNA)
where:
Base-Base interactions energy: -147.423
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.007
local terms energy: -82.294640
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -229.487097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.487097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.487097 (E_RNA)
where:
Base-Base interactions energy: -154.782
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.075
local terms energy: -74.629442
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -218.284211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.284211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.284211 (E_RNA)
where:
Base-Base interactions energy: -140.564
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.149
local terms energy: -77.571578
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -194.372816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.372816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.372816 (E_RNA)
where:
Base-Base interactions energy: -123.322
where: short stacking energy: -65.036
Base-Backbone interact. energy: -0.009
local terms energy: -71.041769
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -209.675445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.675445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.675445 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.081
local terms energy: -72.786474
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -197.883179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.883179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.883179 (E_RNA)
where:
Base-Base interactions energy: -129.345
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.756
local terms energy: -67.782903
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -94.605387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.605387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.605387 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -42.508
Base-Backbone interact. energy: -1.684
local terms energy: -46.947461
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -8.073
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -146.461160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.461160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.461160 (E_RNA)
where:
Base-Base interactions energy: -86.778
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.523
local terms energy: -59.160301
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.094143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.094143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.094143 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -33.480
Base-Backbone interact. energy: -0.199
local terms energy: -50.571079
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -78.953132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.953132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.953132 (E_RNA)
where:
Base-Base interactions energy: -30.100
where: short stacking energy: -18.417
Base-Backbone interact. energy: -0.007
local terms energy: -48.845686
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: 1.091
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: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -230.502899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.502899 (E_RNA)
where:
Base-Base interactions energy: -152.593
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.001
local terms energy: -77.909155
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -22.009
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: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -230.333128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.333128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.333128 (E_RNA)
where:
Base-Base interactions energy: -147.722
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.006
local terms energy: -82.605111
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -213.259652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259652 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.056
local terms energy: -71.495226
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -215.376898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.376898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.376898 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.003
local terms energy: -77.864325
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -172.658788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.658788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.658788 (E_RNA)
where:
Base-Base interactions energy: -113.132
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.122
local terms energy: -59.404775
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -209.272467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.272467 (E_RNA)
where:
Base-Base interactions energy: -137.439
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.071
local terms energy: -71.762573
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -89.092831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.092831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.092831 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.216
local terms energy: -47.437302
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -92.031058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.031058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.031058 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -19.683
Base-Backbone interact. energy: -1.922
local terms energy: -51.859218
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -10.460
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: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -90.798429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.798429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.798429 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -33.717
Base-Backbone interact. energy: -0.072
local terms energy: -49.756434
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -75.995936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.995936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.995936 (E_RNA)
where:
Base-Base interactions energy: -24.991
where: short stacking energy: -21.523
Base-Backbone interact. energy: 0.472
local terms energy: -51.476496
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.286
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: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -227.339637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.339637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.339637 (E_RNA)
where:
Base-Base interactions energy: -149.980
where: short stacking energy: -73.463
Base-Backbone interact. energy: -0.125
local terms energy: -77.234525
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -228.056137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.056137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.056137 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -76.341
Base-Backbone interact. energy: 0.713
local terms energy: -78.461480
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -221.148311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.148311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.148311 (E_RNA)
where:
Base-Base interactions energy: -152.842
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.114
local terms energy: -68.192739
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -209.762650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.762650 (E_RNA)
where:
Base-Base interactions energy: -136.786
where: short stacking energy: -62.291
Base-Backbone interact. energy: 0.389
local terms energy: -73.364882
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.478
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: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -193.582942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.582942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.582942 (E_RNA)
where:
Base-Base interactions energy: -121.798
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.132
local terms energy: -71.653233
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -175.137264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.137264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.137264 (E_RNA)
where:
Base-Base interactions energy: -105.995
where: short stacking energy: -44.367
Base-Backbone interact. energy: 0.131
local terms energy: -69.273546
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -132.486875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.486875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.486875 (E_RNA)
where:
Base-Base interactions energy: -78.701
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.311
local terms energy: -53.475261
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -84.621182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621182 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -36.592
Base-Backbone interact. energy: 0.058
local terms energy: -48.087902
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.481
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: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -90.540081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.540081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.540081 (E_RNA)
where:
Base-Base interactions energy: -34.027
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.136
local terms energy: -56.377357
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -8.532
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: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -80.785524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.785524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.785524 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -25.856
Base-Backbone interact. energy: -0.208
local terms energy: -50.772354
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -230.073345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.073345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.073345 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.005
local terms energy: -79.636516
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -22.436
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -227.111218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.111218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.111218 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -72.876
Base-Backbone interact. energy: -0.282
local terms energy: -80.529867
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -24.365
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: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -214.467800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.467800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.467800 (E_RNA)
where:
Base-Base interactions energy: -139.292
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.065
local terms energy: -75.111020
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.256
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: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -214.552998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.552998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.552998 (E_RNA)
where:
Base-Base interactions energy: -146.426
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.054
local terms energy: -68.073669
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -210.700723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.700723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.700723 (E_RNA)
where:
Base-Base interactions energy: -137.443
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.005
local terms energy: -73.253473
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -20.951
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: 335
Temperature: 1.150000
Total energy: -173.938469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.938469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.938469 (E_RNA)
where:
Base-Base interactions energy: -112.412
where: short stacking energy: -47.819
Base-Backbone interact. energy: -0.450
local terms energy: -61.076712
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -142.081109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.081109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.081109 (E_RNA)
where:
Base-Base interactions energy: -95.527
where: short stacking energy: -35.225
Base-Backbone interact. energy: -0.643
local terms energy: -45.911105
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -82.439618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.439618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.439618 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -30.700
Base-Backbone interact. energy: 0.237
local terms energy: -50.865864
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -79.748607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748607 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.092
local terms energy: -50.228691
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -73.485547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.485547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.485547 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.212
local terms energy: -42.400510
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -1.906
flat angles P-C4'-P energy: -10.304
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: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -228.517363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.517363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.517363 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -73.385
Base-Backbone interact. energy: -0.651
local terms energy: -77.103929
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -217.292725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.292725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.292725 (E_RNA)
where:
Base-Base interactions energy: -149.046
where: short stacking energy: -56.782
Base-Backbone interact. energy: -1.072
local terms energy: -67.173882
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -231.310754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.310754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.310754 (E_RNA)
where:
Base-Base interactions energy: -156.090
where: short stacking energy: -77.343
Base-Backbone interact. energy: -0.303
local terms energy: -74.918066
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -213.198500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.198500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.198500 (E_RNA)
where:
Base-Base interactions energy: -148.905
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.349
local terms energy: -63.945476
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -210.008315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008315 (E_RNA)
where:
Base-Base interactions energy: -138.280
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.423
local terms energy: -71.304992
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -12.374
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: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -176.799404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.799404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.799404 (E_RNA)
where:
Base-Base interactions energy: -105.947
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.031
local terms energy: -70.820974
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.725
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: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -117.858925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.858925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.858925 (E_RNA)
where:
Base-Base interactions energy: -66.936
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.786
local terms energy: -50.137075
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -90.969701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.969701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.969701 (E_RNA)
where:
Base-Base interactions energy: -44.222
where: short stacking energy: -23.643
Base-Backbone interact. energy: -0.296
local terms energy: -46.451596
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -84.336266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.336266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.336266 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -35.556
Base-Backbone interact. energy: 0.195
local terms energy: -46.267969
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -77.327718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.327718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.327718 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.177
local terms energy: -47.873821
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: 1.132
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: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -229.635477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.635477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.635477 (E_RNA)
where:
Base-Base interactions energy: -147.284
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.363
local terms energy: -81.988129
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -22.625
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: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -229.013659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.013659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.013659 (E_RNA)
where:
Base-Base interactions energy: -153.692
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.043
local terms energy: -75.278846
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -218.544771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.544771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544771 (E_RNA)
where:
Base-Base interactions energy: -140.376
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.590
local terms energy: -77.579504
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -224.386326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.386326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.386326 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.011
local terms energy: -79.054237
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -212.383006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.383006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.383006 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.028
local terms energy: -78.069621
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -182.190514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.190514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.190514 (E_RNA)
where:
Base-Base interactions energy: -121.543
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.010
local terms energy: -60.637053
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -130.862504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.862504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.862504 (E_RNA)
where:
Base-Base interactions energy: -75.197
where: short stacking energy: -40.457
Base-Backbone interact. energy: -0.475
local terms energy: -55.190285
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -86.964109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964109 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -21.337
Base-Backbone interact. energy: -1.053
local terms energy: -50.694750
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.257821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.257821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.257821 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.094
local terms energy: -43.950119
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -0.179
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -84.383246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.383246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.383246 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -27.476
Base-Backbone interact. energy: 1.405
local terms energy: -55.766887
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -227.063225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.063225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.063225 (E_RNA)
where:
Base-Base interactions energy: -156.253
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.589
local terms energy: -70.220589
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -230.692520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.692520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.692520 (E_RNA)
where:
Base-Base interactions energy: -155.085
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.002
local terms energy: -75.605016
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -222.175603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175603 (E_RNA)
where:
Base-Base interactions energy: -150.275
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.530
local terms energy: -71.370573
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -215.449051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449051 (E_RNA)
where:
Base-Base interactions energy: -143.869
where: short stacking energy: -78.637
Base-Backbone interact. energy: -0.003
local terms energy: -71.576783
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -181.840370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.840370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.840370 (E_RNA)
where:
Base-Base interactions energy: -120.971
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.862
local terms energy: -60.006793
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -10.843
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -182.701028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.701028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.701028 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.124
local terms energy: -66.655588
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -153.878538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.878538 (E_RNA)
where:
Base-Base interactions energy: -102.880
where: short stacking energy: -33.480
Base-Backbone interact. energy: 0.908
local terms energy: -51.907135
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -89.450174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450174 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.131
local terms energy: -54.326355
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -80.079225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.079225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.079225 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.063
local terms energy: -47.287105
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -67.904720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.904720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.904720 (E_RNA)
where:
Base-Base interactions energy: -18.572
where: short stacking energy: -17.251
Base-Backbone interact. energy: -0.158
local terms energy: -49.174951
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -236.323818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.323818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.323818 (E_RNA)
where:
Base-Base interactions energy: -156.941
where: short stacking energy: -77.283
Base-Backbone interact. energy: -0.603
local terms energy: -78.780009
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -229.127400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127400 (E_RNA)
where:
Base-Base interactions energy: -155.962
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.001
local terms energy: -73.164671
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -217.941176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.941176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.941176 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.013
local terms energy: -79.241224
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -200.384288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.384288 (E_RNA)
where:
Base-Base interactions energy: -133.364
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.300
local terms energy: -66.719779
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -185.697693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.697693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.697693 (E_RNA)
where:
Base-Base interactions energy: -121.831
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.092
local terms energy: -63.774798
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -175.445030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445030 (E_RNA)
where:
Base-Base interactions energy: -112.017
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.077
local terms energy: -63.351025
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -128.159532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.159532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.159532 (E_RNA)
where:
Base-Base interactions energy: -78.810
where: short stacking energy: -36.704
Base-Backbone interact. energy: 0.076
local terms energy: -49.424927
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -105.858896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.858896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.858896 (E_RNA)
where:
Base-Base interactions energy: -51.707
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.005
local terms energy: -54.147628
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -89.723858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.723858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.723858 (E_RNA)
where:
Base-Base interactions energy: -37.784
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.096
local terms energy: -51.844658
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.209
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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -90.794944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794944 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -22.463
Base-Backbone interact. energy: -0.039
local terms energy: -55.116101
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -228.644328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.644328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.644328 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -68.972
Base-Backbone interact. energy: 0.692
local terms energy: -79.260372
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -19.192
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -223.711176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.711176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.711176 (E_RNA)
where:
Base-Base interactions energy: -144.840
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.509
local terms energy: -78.362049
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -216.991561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.991561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.991561 (E_RNA)
where:
Base-Base interactions energy: -142.861
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.061
local terms energy: -74.069724
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -215.777101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.777101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.777101 (E_RNA)
where:
Base-Base interactions energy: -144.811
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.001
local terms energy: -70.964758
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -21.532
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: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -222.244057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.244057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.244057 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -68.998
Base-Backbone interact. energy: 0.517
local terms energy: -82.517350
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -179.552814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.552814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.552814 (E_RNA)
where:
Base-Base interactions energy: -111.892
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.025
local terms energy: -67.635780
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -128.781148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.781148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.781148 (E_RNA)
where:
Base-Base interactions energy: -76.247
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.061
local terms energy: -52.473212
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -135.306802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.306802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.306802 (E_RNA)
where:
Base-Base interactions energy: -79.316
where: short stacking energy: -43.632
Base-Backbone interact. energy: 0.281
local terms energy: -56.271870
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -75.453698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.453698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.453698 (E_RNA)
where:
Base-Base interactions energy: -24.753
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.077
local terms energy: -50.623126
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -84.131498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131498 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -23.067
Base-Backbone interact. energy: -0.207
local terms energy: -49.131032
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -3.793
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -229.046572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.046572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.046572 (E_RNA)
where:
Base-Base interactions energy: -148.823
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.017
local terms energy: -80.207404
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -230.152235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.152235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.152235 (E_RNA)
where:
Base-Base interactions energy: -145.177
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.004
local terms energy: -84.971799
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -23.286
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -216.544131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544131 (E_RNA)
where:
Base-Base interactions energy: -140.599
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.004
local terms energy: -75.941384
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -220.910714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.910714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.910714 (E_RNA)
where:
Base-Base interactions energy: -148.866
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.350
local terms energy: -71.694906
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -18.211
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: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -226.213454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.213454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.213454 (E_RNA)
where:
Base-Base interactions energy: -146.817
where: short stacking energy: -71.645
Base-Backbone interact. energy: -0.485
local terms energy: -78.910863
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -21.151
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -171.394187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394187 (E_RNA)
where:
Base-Base interactions energy: -110.058
where: short stacking energy: -45.916
Base-Backbone interact. energy: 1.423
local terms energy: -62.760023
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -12.453
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: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -123.232401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.232401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.232401 (E_RNA)
where:
Base-Base interactions energy: -63.774
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.321
local terms energy: -59.137665
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -117.286595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.286595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.286595 (E_RNA)
where:
Base-Base interactions energy: -70.886
where: short stacking energy: -37.585
Base-Backbone interact. energy: -0.556
local terms energy: -45.844964
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -78.597934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.597934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.597934 (E_RNA)
where:
Base-Base interactions energy: -36.346
where: short stacking energy: -21.230
Base-Backbone interact. energy: 0.122
local terms energy: -42.373856
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: 3.216
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: 341
Temperature: 1.350000
Total energy: -73.544290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.544290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.544290 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -18.389
Base-Backbone interact. energy: -0.162
local terms energy: -43.167592
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -223.206348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.206348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.206348 (E_RNA)
where:
Base-Base interactions energy: -141.666
where: short stacking energy: -59.596
Base-Backbone interact. energy: 0.360
local terms energy: -81.900014
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -221.345147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.345147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345147 (E_RNA)
where:
Base-Base interactions energy: -140.314
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.063
local terms energy: -80.967675
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -213.803337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.803337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803337 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.448
local terms energy: -70.980433
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -209.520847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.520847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.520847 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -65.740
Base-Backbone interact. energy: -0.617
local terms energy: -69.503277
where:
bonds (distance) C4'-P energy: -7.728
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -215.325646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.325646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.325646 (E_RNA)
where:
Base-Base interactions energy: -145.446
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.001
local terms energy: -69.877915
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -183.516674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516674 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.101
local terms energy: -63.260330
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -125.657506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.657506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.657506 (E_RNA)
where:
Base-Base interactions energy: -71.120
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.030
local terms energy: -54.507425
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -92.498669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498669 (E_RNA)
where:
Base-Base interactions energy: -43.409
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.495
local terms energy: -48.594562
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -97.808473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.808473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.808473 (E_RNA)
where:
Base-Base interactions energy: -46.231
where: short stacking energy: -37.708
Base-Backbone interact. energy: -0.181
local terms energy: -51.396063
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -5.860
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -6.079
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: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -74.308440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.308440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.308440 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.174
local terms energy: -43.884290
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -3.817
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.100906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100906 (E_RNA)
where:
Base-Base interactions energy: -153.364
where: short stacking energy: -74.179
Base-Backbone interact. energy: -0.000
local terms energy: -74.736958
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -227.271041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.271041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.271041 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.078
local terms energy: -84.173815
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -218.807176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.807176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.807176 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.220
local terms energy: -74.558287
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -20.052
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: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -211.742264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.742264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.742264 (E_RNA)
where:
Base-Base interactions energy: -139.070
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.248
local terms energy: -72.424254
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -7.984
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: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -198.379880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.379880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.379880 (E_RNA)
where:
Base-Base interactions energy: -125.132
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.573
local terms energy: -72.675106
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -182.590797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.590797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.590797 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -55.591
Base-Backbone interact. energy: -0.022
local terms energy: -56.809334
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -7.718
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -121.284321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.284321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.284321 (E_RNA)
where:
Base-Base interactions energy: -72.773
where: short stacking energy: -36.963
Base-Backbone interact. energy: -1.318
local terms energy: -47.193365
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -8.926
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -89.307808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.307808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.307808 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.038
local terms energy: -52.139176
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -88.157616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157616 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.062
local terms energy: -51.105238
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -78.758457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758457 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.167
local terms energy: -39.061699
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -6.789
flat angles P-C4'-P energy: -3.018
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -234.450353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.450353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.450353 (E_RNA)
where:
Base-Base interactions energy: -153.289
where: short stacking energy: -73.903
Base-Backbone interact. energy: -0.312
local terms energy: -80.849343
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -220.781050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.781050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.781050 (E_RNA)
where:
Base-Base interactions energy: -140.926
where: short stacking energy: -73.416
Base-Backbone interact. energy: -0.280
local terms energy: -79.574434
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -208.416465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.416465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.416465 (E_RNA)
where:
Base-Base interactions energy: -139.063
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.019
local terms energy: -69.333884
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -195.814150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.814150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.814150 (E_RNA)
where:
Base-Base interactions energy: -126.972
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.224
local terms energy: -68.618081
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -215.809646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.809646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.809646 (E_RNA)
where:
Base-Base interactions energy: -141.450
where: short stacking energy: -67.688
Base-Backbone interact. energy: 0.253
local terms energy: -74.612244
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -174.596603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.596603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.596603 (E_RNA)
where:
Base-Base interactions energy: -106.056
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.076
local terms energy: -68.464725
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -150.041715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.041715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.041715 (E_RNA)
where:
Base-Base interactions energy: -90.113
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.204
local terms energy: -59.725476
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -95.462863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462863 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -39.323
Base-Backbone interact. energy: -0.015
local terms energy: -55.179658
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -82.701827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.701827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.701827 (E_RNA)
where:
Base-Base interactions energy: -30.023
where: short stacking energy: -26.325
Base-Backbone interact. energy: -0.345
local terms energy: -52.333907
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -91.126008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126008 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -23.658
Base-Backbone interact. energy: 0.457
local terms energy: -36.924413
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -5.108
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: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -223.368704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.368704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.368704 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.002
local terms energy: -72.849043
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -20.048
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: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -216.855811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.855811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.855811 (E_RNA)
where:
Base-Base interactions energy: -135.766
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.194
local terms energy: -80.895643
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -20.799
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: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -214.816792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.816792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.816792 (E_RNA)
where:
Base-Base interactions energy: -135.860
where: short stacking energy: -69.615
Base-Backbone interact. energy: -0.259
local terms energy: -78.698116
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -216.845613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.845613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.845613 (E_RNA)
where:
Base-Base interactions energy: -143.500
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.000
local terms energy: -73.345196
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -7.015
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -190.645951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.645951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.645951 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.032
local terms energy: -73.098298
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -178.146998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146998 (E_RNA)
where:
Base-Base interactions energy: -114.535
where: short stacking energy: -54.208
Base-Backbone interact. energy: -0.141
local terms energy: -63.471513
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -135.573464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.573464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.573464 (E_RNA)
where:
Base-Base interactions energy: -87.266
where: short stacking energy: -48.740
Base-Backbone interact. energy: -0.107
local terms energy: -48.200298
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.107205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.107205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.107205 (E_RNA)
where:
Base-Base interactions energy: -39.434
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.154
local terms energy: -48.518988
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -2.390
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -80.975376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.975376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.975376 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.117
local terms energy: -50.634762
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -68.512635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.512635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.512635 (E_RNA)
where:
Base-Base interactions energy: -25.714
where: short stacking energy: -25.714
Base-Backbone interact. energy: -0.326
local terms energy: -42.472712
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -232.141491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.141491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.141491 (E_RNA)
where:
Base-Base interactions energy: -156.224
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.007
local terms energy: -75.910450
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -230.096667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096667 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.065
local terms energy: -80.414522
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -226.491386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.491386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.491386 (E_RNA)
where:
Base-Base interactions energy: -155.801
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.045
local terms energy: -70.645306
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -21.671
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: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -215.260441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260441 (E_RNA)
where:
Base-Base interactions energy: -143.202
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.603
local terms energy: -71.455624
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -20.341
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: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -189.459820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.459820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.459820 (E_RNA)
where:
Base-Base interactions energy: -124.927
where: short stacking energy: -68.170
Base-Backbone interact. energy: -0.161
local terms energy: -64.371582
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -16.252
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: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -192.096444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.096444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.096444 (E_RNA)
where:
Base-Base interactions energy: -125.474
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.313
local terms energy: -66.309918
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -131.844869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.844869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.844869 (E_RNA)
where:
Base-Base interactions energy: -75.214
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.140
local terms energy: -56.490439
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.541
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: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -89.309900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309900 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.028
local terms energy: -54.704486
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -4.536
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: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -84.695744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.695744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.695744 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.073
local terms energy: -43.943672
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -5.678
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: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -77.933053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933053 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -21.437
Base-Backbone interact. energy: -0.613
local terms energy: -47.759505
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: 3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -226.983385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.983385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.983385 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.012
local terms energy: -78.068470
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -226.571704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.571704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.571704 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -73.780
Base-Backbone interact. energy: -0.000
local terms energy: -77.595705
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -20.758
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: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -217.273702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.273702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.273702 (E_RNA)
where:
Base-Base interactions energy: -142.609
where: short stacking energy: -67.255
Base-Backbone interact. energy: -0.017
local terms energy: -74.647370
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -213.407849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.407849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.407849 (E_RNA)
where:
Base-Base interactions energy: -137.541
where: short stacking energy: -68.035
Base-Backbone interact. energy: 0.499
local terms energy: -76.366025
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -182.951617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951617 (E_RNA)
where:
Base-Base interactions energy: -113.391
where: short stacking energy: -47.851
Base-Backbone interact. energy: -0.496
local terms energy: -69.064406
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -202.640705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.640705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.640705 (E_RNA)
where:
Base-Base interactions energy: -136.348
where: short stacking energy: -76.122
Base-Backbone interact. energy: -0.536
local terms energy: -65.757506
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -135.406844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.406844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.406844 (E_RNA)
where:
Base-Base interactions energy: -82.546
where: short stacking energy: -39.379
Base-Backbone interact. energy: 1.369
local terms energy: -54.229580
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -94.177380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.177380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.177380 (E_RNA)
where:
Base-Base interactions energy: -45.104
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.117
local terms energy: -48.956166
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -4.156
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -87.673165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.673165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.673165 (E_RNA)
where:
Base-Base interactions energy: -34.000
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.617
local terms energy: -53.056224
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -71.215065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.215065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.215065 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.284
local terms energy: -34.596379
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -0.915
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -229.454926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.454926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.454926 (E_RNA)
where:
Base-Base interactions energy: -145.027
where: short stacking energy: -72.727
Base-Backbone interact. energy: -0.008
local terms energy: -84.419681
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -20.810
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -228.100231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100231 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -76.536
Base-Backbone interact. energy: -0.019
local terms energy: -76.332643
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -20.430
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: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -210.297789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.297789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.297789 (E_RNA)
where:
Base-Base interactions energy: -147.268
where: short stacking energy: -65.469
Base-Backbone interact. energy: -0.004
local terms energy: -63.025327
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -214.284509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.284509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.284509 (E_RNA)
where:
Base-Base interactions energy: -134.350
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.167
local terms energy: -79.767497
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -195.973161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.973161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.973161 (E_RNA)
where:
Base-Base interactions energy: -130.851
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.010
local terms energy: -65.112028
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -5.735
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: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -196.187269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.187269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.187269 (E_RNA)
where:
Base-Base interactions energy: -121.901
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.011
local terms energy: -74.274982
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.028
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -129.175182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.175182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.175182 (E_RNA)
where:
Base-Base interactions energy: -65.435
where: short stacking energy: -34.257
Base-Backbone interact. energy: -0.008
local terms energy: -63.731897
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -8.993
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: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.659421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.659421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.659421 (E_RNA)
where:
Base-Base interactions energy: -44.624
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.078
local terms energy: -41.957378
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -8.008
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -83.065443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065443 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -24.590
Base-Backbone interact. energy: -0.521
local terms energy: -48.558210
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -9.063
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.726183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.726183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.726183 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.322
local terms energy: -43.915228
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -4.259
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: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -227.734733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.734733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.734733 (E_RNA)
where:
Base-Base interactions energy: -147.933
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.200
local terms energy: -79.601373
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -23.051
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: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -225.296577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.296577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.296577 (E_RNA)
where:
Base-Base interactions energy: -151.126
where: short stacking energy: -70.618
Base-Backbone interact. energy: -0.040
local terms energy: -74.130909
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -20.653
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: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -217.710472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.710472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.710472 (E_RNA)
where:
Base-Base interactions energy: -142.107
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.012
local terms energy: -75.591742
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -213.160449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.160449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.160449 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.108
local terms energy: -73.427715
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -183.905721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905721 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.005
local terms energy: -64.369987
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -16.072
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: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -179.008856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.008856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.008856 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -66.209
Base-Backbone interact. energy: 0.498
local terms energy: -62.575732
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -15.067
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: 349
Temperature: 1.200000
Total energy: -130.671762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.671762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.671762 (E_RNA)
where:
Base-Base interactions energy: -70.533
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.269
local terms energy: -59.870106
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.886583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.886583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.886583 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -31.709
Base-Backbone interact. energy: 1.141
local terms energy: -47.206242
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -7.757
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -9.933
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -78.684111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684111 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.283
local terms energy: -44.849455
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -7.093
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -77.803606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.803606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.803606 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -17.368
Base-Backbone interact. energy: -0.037
local terms energy: -45.361104
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: 2.360
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: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -229.784614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.784614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.784614 (E_RNA)
where:
Base-Base interactions energy: -147.373
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.034
local terms energy: -82.377463
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -22.791
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: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -223.732308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.732308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.732308 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.090
local terms energy: -79.465420
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -218.681468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.681468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.681468 (E_RNA)
where:
Base-Base interactions energy: -142.836
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.021
local terms energy: -75.824187
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -210.155529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.155529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155529 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.246
local terms energy: -76.232398
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -169.635376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.635376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.635376 (E_RNA)
where:
Base-Base interactions energy: -106.884
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.380
local terms energy: -62.371113
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.855
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: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -169.178341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.178341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.178341 (E_RNA)
where:
Base-Base interactions energy: -110.448
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.161
local terms energy: -58.569741
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -131.751874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.751874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.751874 (E_RNA)
where:
Base-Base interactions energy: -72.693
where: short stacking energy: -43.167
Base-Backbone interact. energy: -0.082
local terms energy: -58.976517
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -5.675
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -98.229061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229061 (E_RNA)
where:
Base-Base interactions energy: -42.294
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.070
local terms energy: -55.865381
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -7.137
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -74.218030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.218030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.218030 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -27.717
Base-Backbone interact. energy: -0.070
local terms energy: -43.221784
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -11.149
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: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -83.530135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.530135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.530135 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.218
local terms energy: -49.928537
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -7.640
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: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -219.689912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.689912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.689912 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.682
local terms energy: -73.918947
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -206.681064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.681064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.681064 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.128
local terms energy: -67.210862
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -221.060517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.060517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060517 (E_RNA)
where:
Base-Base interactions energy: -144.549
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.002
local terms energy: -76.510009
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -197.578582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.578582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.578582 (E_RNA)
where:
Base-Base interactions energy: -125.956
where: short stacking energy: -63.488
Base-Backbone interact. energy: -0.030
local terms energy: -71.592491
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -148.796238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.796238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.796238 (E_RNA)
where:
Base-Base interactions energy: -90.826
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.129
local terms energy: -57.840692
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -178.144602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.144602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.144602 (E_RNA)
where:
Base-Base interactions energy: -114.972
where: short stacking energy: -58.123
Base-Backbone interact. energy: 1.462
local terms energy: -64.635035
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -127.272660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.272660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.272660 (E_RNA)
where:
Base-Base interactions energy: -74.315
where: short stacking energy: -40.538
Base-Backbone interact. energy: -0.284
local terms energy: -52.674481
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.807
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -92.437330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.437330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.437330 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.020
local terms energy: -55.935122
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -78.940008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.940008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.940008 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -17.720
Base-Backbone interact. energy: -1.743
local terms energy: -51.875862
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.309727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.309727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.309727 (E_RNA)
where:
Base-Base interactions energy: -37.029
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.100
local terms energy: -48.180214
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -226.053069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.053069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.053069 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.127
local terms energy: -78.662416
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -224.671980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.671980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.671980 (E_RNA)
where:
Base-Base interactions energy: -148.832
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.294
local terms energy: -75.545393
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -220.407200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407200 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.000
local terms energy: -78.664718
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -206.864616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.864616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864616 (E_RNA)
where:
Base-Base interactions energy: -140.788
where: short stacking energy: -65.695
Base-Backbone interact. energy: 0.244
local terms energy: -66.320527
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -192.265947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.265947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.265947 (E_RNA)
where:
Base-Base interactions energy: -131.406
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.283
local terms energy: -60.577599
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -181.887749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.887749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.887749 (E_RNA)
where:
Base-Base interactions energy: -117.226
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.461
local terms energy: -64.200317
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -130.564522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.564522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.564522 (E_RNA)
where:
Base-Base interactions energy: -70.253
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.763
local terms energy: -59.548106
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -4.411
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: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -90.091506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.091506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.091506 (E_RNA)
where:
Base-Base interactions energy: -34.752
where: short stacking energy: -18.571
Base-Backbone interact. energy: -1.254
local terms energy: -54.085988
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -77.522584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.522584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.522584 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -22.681
Base-Backbone interact. energy: -0.161
local terms energy: -41.937978
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: 1.016
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: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -78.298760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.298760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.298760 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -23.202
Base-Backbone interact. energy: -0.165
local terms energy: -50.148961
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -228.186098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.186098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.186098 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.589
local terms energy: -77.283064
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -21.944
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: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -226.665569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.665569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.665569 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.570
local terms energy: -74.009805
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -21.107
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: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -216.351054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.351054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.351054 (E_RNA)
where:
Base-Base interactions energy: -142.627
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.329
local terms energy: -73.395848
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -218.289627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.289627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.289627 (E_RNA)
where:
Base-Base interactions energy: -147.647
where: short stacking energy: -79.352
Base-Backbone interact. energy: 0.379
local terms energy: -71.021467
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.752
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: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -178.108158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.108158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.108158 (E_RNA)
where:
Base-Base interactions energy: -118.181
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.244
local terms energy: -59.683206
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -10.395
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: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -183.367489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.367489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.367489 (E_RNA)
where:
Base-Base interactions energy: -117.354
where: short stacking energy: -53.040
Base-Backbone interact. energy: -0.216
local terms energy: -65.797687
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -126.511719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.511719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.511719 (E_RNA)
where:
Base-Base interactions energy: -64.854
where: short stacking energy: -32.831
Base-Backbone interact. energy: -0.249
local terms energy: -61.408679
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.223
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: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.653620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653620 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.146
local terms energy: -56.924607
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -78.607259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.607259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.607259 (E_RNA)
where:
Base-Base interactions energy: -27.369
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.340
local terms energy: -50.897942
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -83.809754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809754 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -24.781
Base-Backbone interact. energy: -1.123
local terms energy: -40.891578
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -225.626808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.626808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.626808 (E_RNA)
where:
Base-Base interactions energy: -145.603
where: short stacking energy: -71.583
Base-Backbone interact. energy: -1.930
local terms energy: -78.094272
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -21.329
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: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -225.046705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.046705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.046705 (E_RNA)
where:
Base-Base interactions energy: -145.634
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.001
local terms energy: -79.411594
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -22.832
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -215.486117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.486117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.486117 (E_RNA)
where:
Base-Base interactions energy: -146.281
where: short stacking energy: -69.820
Base-Backbone interact. energy: -0.062
local terms energy: -69.143192
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -21.783
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: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -220.660690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660690 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -69.587
Base-Backbone interact. energy: -0.002
local terms energy: -75.922898
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -203.706728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.706728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.706728 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.003
local terms energy: -77.471526
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -182.967409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.967409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.967409 (E_RNA)
where:
Base-Base interactions energy: -113.613
where: short stacking energy: -53.222
Base-Backbone interact. energy: -0.014
local terms energy: -69.340335
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -133.319225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.319225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.319225 (E_RNA)
where:
Base-Base interactions energy: -81.754
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.233
local terms energy: -51.332545
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -8.604
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: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -86.069701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069701 (E_RNA)
where:
Base-Base interactions energy: -46.546
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.005
local terms energy: -39.518923
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -89.331496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331496 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.043
local terms energy: -54.175602
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -90.378360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.378360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.378360 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -27.690
Base-Backbone interact. energy: 0.289
local terms energy: -54.790133
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -4.498
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: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -233.842997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.842997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.842997 (E_RNA)
where:
Base-Base interactions energy: -151.143
where: short stacking energy: -72.100
Base-Backbone interact. energy: -0.293
local terms energy: -82.406555
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -22.638
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: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -226.343661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.343661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.343661 (E_RNA)
where:
Base-Base interactions energy: -146.645
where: short stacking energy: -68.606
Base-Backbone interact. energy: -0.003
local terms energy: -79.696298
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -219.119092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119092 (E_RNA)
where:
Base-Base interactions energy: -143.144
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.439
local terms energy: -75.536893
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -202.479401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.479401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.479401 (E_RNA)
where:
Base-Base interactions energy: -126.438
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.012
local terms energy: -76.030184
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -17.630
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: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -210.976820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.976820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.976820 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -68.748
Base-Backbone interact. energy: -0.025
local terms energy: -68.389432
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -185.960994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.960994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.960994 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -51.884
Base-Backbone interact. energy: 0.201
local terms energy: -57.140326
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -1.422
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -135.921590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.921590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.921590 (E_RNA)
where:
Base-Base interactions energy: -85.736
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.467
local terms energy: -49.718597
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -87.489363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489363 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -35.519
Base-Backbone interact. energy: 0.483
local terms energy: -51.384973
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -93.209800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209800 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -37.518
Base-Backbone interact. energy: -0.124
local terms energy: -55.568263
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.209
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: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -74.268945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.268945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.268945 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.232
local terms energy: -44.315242
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -229.747903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.747903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.747903 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -70.902
Base-Backbone interact. energy: -0.040
local terms energy: -77.554768
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -222.784948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.784948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.784948 (E_RNA)
where:
Base-Base interactions energy: -150.280
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.069
local terms energy: -72.435740
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -212.862955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862955 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.222
local terms energy: -73.287300
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -221.105712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.105712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.105712 (E_RNA)
where:
Base-Base interactions energy: -143.187
where: short stacking energy: -68.748
Base-Backbone interact. energy: -0.448
local terms energy: -77.470486
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -206.301130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.301130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.301130 (E_RNA)
where:
Base-Base interactions energy: -148.763
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.098
local terms energy: -57.440780
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -180.566093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.566093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.566093 (E_RNA)
where:
Base-Base interactions energy: -117.223
where: short stacking energy: -58.812
Base-Backbone interact. energy: 1.118
local terms energy: -64.460830
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -96.557221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557221 (E_RNA)
where:
Base-Base interactions energy: -50.021
where: short stacking energy: -26.521
Base-Backbone interact. energy: 0.364
local terms energy: -46.900054
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -1.929
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -117.931427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.931427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.931427 (E_RNA)
where:
Base-Base interactions energy: -67.046
where: short stacking energy: -39.006
Base-Backbone interact. energy: 0.750
local terms energy: -51.635524
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -94.198867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.198867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.198867 (E_RNA)
where:
Base-Base interactions energy: -51.808
where: short stacking energy: -22.285
Base-Backbone interact. energy: -1.446
local terms energy: -40.944604
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -11.375
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -86.785229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.785229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.785229 (E_RNA)
where:
Base-Base interactions energy: -33.830
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.044
local terms energy: -52.911411
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -228.879784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.879784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.879784 (E_RNA)
where:
Base-Base interactions energy: -154.334
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.042
local terms energy: -74.503476
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -209.339825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.339825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.339825 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.094
local terms energy: -65.304818
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -209.433207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433207 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.238
local terms energy: -77.821036
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -11.329
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: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -212.064234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.064234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.064234 (E_RNA)
where:
Base-Base interactions energy: -136.120
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.091
local terms energy: -75.853198
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -203.016080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.016080 (E_RNA)
where:
Base-Base interactions energy: -134.175
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.018
local terms energy: -68.823692
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -192.807660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.807660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.807660 (E_RNA)
where:
Base-Base interactions energy: -118.996
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.083
local terms energy: -73.727708
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -101.629951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.629951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.629951 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.939
local terms energy: -54.944161
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.963
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: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -94.180706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.180706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.180706 (E_RNA)
where:
Base-Base interactions energy: -48.763
where: short stacking energy: -29.222
Base-Backbone interact. energy: -0.187
local terms energy: -45.230050
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.215
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: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -103.225522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.225522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.225522 (E_RNA)
where:
Base-Base interactions energy: -51.978
where: short stacking energy: -25.247
Base-Backbone interact. energy: 1.102
local terms energy: -52.349667
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -6.477
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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -90.177681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.177681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.177681 (E_RNA)
where:
Base-Base interactions energy: -48.523
where: short stacking energy: -39.686
Base-Backbone interact. energy: -0.303
local terms energy: -41.351001
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -4.634
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -223.653698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.653698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.653698 (E_RNA)
where:
Base-Base interactions energy: -144.060
where: short stacking energy: -73.713
Base-Backbone interact. energy: -0.597
local terms energy: -78.996752
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -211.457570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.457570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.457570 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.486
local terms energy: -66.812701
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -215.325652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.325652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.325652 (E_RNA)
where:
Base-Base interactions energy: -151.999
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.067
local terms energy: -63.260236
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -21.093
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: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -208.469498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.469498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.469498 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.034
local terms energy: -74.134922
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -19.397
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -191.048326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.048326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.048326 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.051
local terms energy: -60.669019
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -211.223638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.223638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.223638 (E_RNA)
where:
Base-Base interactions energy: -141.947
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.066
local terms energy: -69.209916
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -115.711959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.711959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.711959 (E_RNA)
where:
Base-Base interactions energy: -71.360
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.610
local terms energy: -43.741635
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -6.948
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -84.304481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.304481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.304481 (E_RNA)
where:
Base-Base interactions energy: -34.824
where: short stacking energy: -34.394
Base-Backbone interact. energy: -0.118
local terms energy: -49.362559
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.826
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: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -84.317598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317598 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -33.044
Base-Backbone interact. energy: -0.066
local terms energy: -50.935246
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -75.998660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998660 (E_RNA)
where:
Base-Base interactions energy: -33.334
where: short stacking energy: -29.871
Base-Backbone interact. energy: -0.214
local terms energy: -42.450607
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -209.006389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.006389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.006389 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.315
local terms energy: -71.336635
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -12.599
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: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -226.125411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.125411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.125411 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.589
local terms energy: -75.358968
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -213.708591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.708591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.708591 (E_RNA)
where:
Base-Base interactions energy: -142.937
where: short stacking energy: -61.049
Base-Backbone interact. energy: 0.035
local terms energy: -70.807038
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -193.890568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890568 (E_RNA)
where:
Base-Base interactions energy: -133.379
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.011
local terms energy: -60.500478
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -192.596734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596734 (E_RNA)
where:
Base-Base interactions energy: -125.245
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.000
local terms energy: -67.351886
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -204.238175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.238175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.238175 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.433
local terms energy: -64.343868
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -124.228640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.228640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.228640 (E_RNA)
where:
Base-Base interactions energy: -65.973
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.099
local terms energy: -58.156697
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -116.456565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.456565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.456565 (E_RNA)
where:
Base-Base interactions energy: -59.651
where: short stacking energy: -49.455
Base-Backbone interact. energy: -0.045
local terms energy: -56.761137
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -82.686005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686005 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -21.110
Base-Backbone interact. energy: -0.421
local terms energy: -47.880898
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: 1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -87.561528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561528 (E_RNA)
where:
Base-Base interactions energy: -45.642
where: short stacking energy: -33.712
Base-Backbone interact. energy: 1.047
local terms energy: -42.966626
where:
bonds (distance) C4'-P energy: -7.703
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -224.939485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.939485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.939485 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.165
local terms energy: -75.456888
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -201.189439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.189439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.189439 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.057
local terms energy: -75.421875
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -194.141131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.141131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.141131 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -64.324
Base-Backbone interact. energy: 0.842
local terms energy: -66.001017
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -11.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -208.829337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.829337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829337 (E_RNA)
where:
Base-Base interactions energy: -142.698
where: short stacking energy: -63.521
Base-Backbone interact. energy: 0.307
local terms energy: -66.438389
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -200.789419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789419 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.076
local terms energy: -75.445284
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -187.487390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.487390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.487390 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.003
local terms energy: -73.653553
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -12.565
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: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -148.818226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.818226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.818226 (E_RNA)
where:
Base-Base interactions energy: -94.351
where: short stacking energy: -49.345
Base-Backbone interact. energy: -0.238
local terms energy: -54.229536
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.323901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.323901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.323901 (E_RNA)
where:
Base-Base interactions energy: -31.270
where: short stacking energy: -22.746
Base-Backbone interact. energy: -0.216
local terms energy: -54.837952
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -81.983557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983557 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.231
local terms energy: -56.098574
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -3.720
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -79.658231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.658231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.658231 (E_RNA)
where:
Base-Base interactions energy: -35.432
where: short stacking energy: -23.581
Base-Backbone interact. energy: 2.352
local terms energy: -46.578939
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -5.034
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: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -231.845855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.845855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.845855 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.445
local terms energy: -77.978545
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -23.382
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -204.260427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.260427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.260427 (E_RNA)
where:
Base-Base interactions energy: -124.782
where: short stacking energy: -63.712
Base-Backbone interact. energy: -0.011
local terms energy: -79.467478
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -20.686
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: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -214.295937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295937 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.195
local terms energy: -72.378104
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -201.842132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.842132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.842132 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -73.956
Base-Backbone interact. energy: -0.005
local terms energy: -67.744808
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -212.364435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364435 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.098
local terms energy: -75.904173
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -182.557815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.557815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.557815 (E_RNA)
where:
Base-Base interactions energy: -119.370
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.026
local terms energy: -63.161833
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -11.583
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: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -150.494124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.494124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.494124 (E_RNA)
where:
Base-Base interactions energy: -96.132
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.739
local terms energy: -53.623091
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -3.483
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: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -85.902856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.902856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.902856 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.238
local terms energy: -53.522209
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -85.187430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.187430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.187430 (E_RNA)
where:
Base-Base interactions energy: -39.234
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.484
local terms energy: -45.469507
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -77.065736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065736 (E_RNA)
where:
Base-Base interactions energy: -18.694
where: short stacking energy: -18.560
Base-Backbone interact. energy: -0.094
local terms energy: -58.277051
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -231.321201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.321201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.321201 (E_RNA)
where:
Base-Base interactions energy: -148.964
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.000
local terms energy: -82.356896
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -20.558
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -200.342745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.342745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.342745 (E_RNA)
where:
Base-Base interactions energy: -126.985
where: short stacking energy: -68.437
Base-Backbone interact. energy: -0.001
local terms energy: -73.356438
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -8.280
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: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -210.432077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.432077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.432077 (E_RNA)
where:
Base-Base interactions energy: -137.849
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.033
local terms energy: -72.550449
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -199.235117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.235117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235117 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.828
local terms energy: -75.032327
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -19.618
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -197.729040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.729040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.729040 (E_RNA)
where:
Base-Base interactions energy: -130.425
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.019
local terms energy: -67.285302
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -210.843664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843664 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.001
local terms energy: -79.094396
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -149.470445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.470445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.470445 (E_RNA)
where:
Base-Base interactions energy: -92.742
where: short stacking energy: -36.434
Base-Backbone interact. energy: -0.105
local terms energy: -56.624088
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -81.957785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.957785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.957785 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -18.541
Base-Backbone interact. energy: -0.929
local terms energy: -57.436449
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -81.730607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.730607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.730607 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -28.504
Base-Backbone interact. energy: -0.106
local terms energy: -53.120595
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -80.063503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.063503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.063503 (E_RNA)
where:
Base-Base interactions energy: -22.846
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.362
local terms energy: -56.855691
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.421
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: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -227.639048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.639048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.639048 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.241
local terms energy: -81.995844
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -225.280393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.280393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.280393 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.623
local terms energy: -79.079425
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -195.523466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.523466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.523466 (E_RNA)
where:
Base-Base interactions energy: -120.496
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.001
local terms energy: -75.026007
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -20.447
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: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -209.241189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.241189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241189 (E_RNA)
where:
Base-Base interactions energy: -137.424
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.280
local terms energy: -71.537478
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -21.673
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: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -210.619300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.619300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.619300 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -62.255
Base-Backbone interact. energy: 0.510
local terms energy: -74.003602
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -210.369488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.369488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.369488 (E_RNA)
where:
Base-Base interactions energy: -141.911
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.003
local terms energy: -68.455361
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -149.609787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.609787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.609787 (E_RNA)
where:
Base-Base interactions energy: -99.342
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.231
local terms energy: -50.037187
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -3.481
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: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -86.821123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821123 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -21.932
Base-Backbone interact. energy: -0.141
local terms energy: -58.124250
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -84.514006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.514006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.514006 (E_RNA)
where:
Base-Base interactions energy: -34.144
where: short stacking energy: -28.993
Base-Backbone interact. energy: 2.621
local terms energy: -52.991018
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -8.616
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: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -81.914153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.914153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.914153 (E_RNA)
where:
Base-Base interactions energy: -23.612
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.932
local terms energy: -57.370541
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -4.331
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: 364
Temperature: 0.900000
Total energy: -229.799415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.799415 (E_RNA)
where:
Base-Base interactions energy: -150.281
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.377
local terms energy: -79.140633
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.163
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: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -225.772598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.772598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772598 (E_RNA)
where:
Base-Base interactions energy: -147.666
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.009
local terms energy: -78.098508
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -11.674
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: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -225.346016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.346016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.346016 (E_RNA)
where:
Base-Base interactions energy: -151.584
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.005
local terms energy: -73.757494
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -199.943462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.943462 (E_RNA)
where:
Base-Base interactions energy: -128.789
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.154
local terms energy: -71.000368
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -208.793561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.793561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.793561 (E_RNA)
where:
Base-Base interactions energy: -132.984
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.044
local terms energy: -75.765853
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -19.989
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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -174.376124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.376124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.376124 (E_RNA)
where:
Base-Base interactions energy: -120.990
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.279
local terms energy: -53.107049
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -134.659199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.659199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.659199 (E_RNA)
where:
Base-Base interactions energy: -79.956
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.269
local terms energy: -54.433937
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -9.782
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: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -91.369806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.369806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.369806 (E_RNA)
where:
Base-Base interactions energy: -40.495
where: short stacking energy: -40.495
Base-Backbone interact. energy: -0.184
local terms energy: -50.690805
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -6.153
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: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -76.398671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.398671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.398671 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -24.751
Base-Backbone interact. energy: 2.862
local terms energy: -47.410532
where:
bonds (distance) C4'-P energy: -4.700
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -76.167650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.167650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.167650 (E_RNA)
where:
Base-Base interactions energy: -26.704
where: short stacking energy: -14.061
Base-Backbone interact. energy: -0.159
local terms energy: -49.304745
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -235.818603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.818603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.818603 (E_RNA)
where:
Base-Base interactions energy: -155.389
where: short stacking energy: -80.528
Base-Backbone interact. energy: 0.445
local terms energy: -80.874550
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -19.511
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: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -224.572908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.572908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.572908 (E_RNA)
where:
Base-Base interactions energy: -146.551
where: short stacking energy: -70.784
Base-Backbone interact. energy: -0.636
local terms energy: -77.386798
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -210.238249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.238249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.238249 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -60.839
Base-Backbone interact. energy: 0.394
local terms energy: -78.040496
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -19.407
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -218.916724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.916724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.916724 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.003
local terms energy: -70.719630
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -198.147630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.147630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.147630 (E_RNA)
where:
Base-Base interactions energy: -134.220
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.007
local terms energy: -63.920651
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -18.709
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: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -180.762514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762514 (E_RNA)
where:
Base-Base interactions energy: -131.282
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.041
local terms energy: -49.439304
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -145.102862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.102862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.102862 (E_RNA)
where:
Base-Base interactions energy: -87.086
where: short stacking energy: -39.752
Base-Backbone interact. energy: -0.595
local terms energy: -57.421642
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -3.817
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: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -96.277699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.277699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.277699 (E_RNA)
where:
Base-Base interactions energy: -40.333
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.143
local terms energy: -55.801293
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -83.970214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970214 (E_RNA)
where:
Base-Base interactions energy: -37.680
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.037
local terms energy: -46.252614
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -79.129750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129750 (E_RNA)
where:
Base-Base interactions energy: -32.698
where: short stacking energy: -29.369
Base-Backbone interact. energy: 0.155
local terms energy: -46.586500
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.615942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.615942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.615942 (E_RNA)
where:
Base-Base interactions energy: -151.654
where: short stacking energy: -74.347
Base-Backbone interact. energy: -0.001
local terms energy: -76.961087
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -12.203
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: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -220.299072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.299072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.299072 (E_RNA)
where:
Base-Base interactions energy: -144.467
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.051
local terms energy: -75.780905
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.292
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -225.235920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.235920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.235920 (E_RNA)
where:
Base-Base interactions energy: -147.776
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.001
local terms energy: -77.458923
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -215.818268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.818268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.818268 (E_RNA)
where:
Base-Base interactions energy: -141.993
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.001
local terms energy: -73.824477
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -207.220416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.220416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.220416 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.025
local terms energy: -70.731849
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -13.583
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: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -198.321164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.321164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321164 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -62.073
Base-Backbone interact. energy: 3.563
local terms energy: -70.623040
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -132.839674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.839674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.839674 (E_RNA)
where:
Base-Base interactions energy: -71.716
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.152
local terms energy: -60.971186
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.306
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: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -127.985250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.985250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.985250 (E_RNA)
where:
Base-Base interactions energy: -73.811
where: short stacking energy: -41.933
Base-Backbone interact. energy: 0.329
local terms energy: -54.503106
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -8.026
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -80.267826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.267826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.267826 (E_RNA)
where:
Base-Base interactions energy: -41.983
where: short stacking energy: -30.011
Base-Backbone interact. energy: -1.384
local terms energy: -36.900901
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -4.015
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -80.170062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170062 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -20.311
Base-Backbone interact. energy: -0.257
local terms energy: -47.335335
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 3.117
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -232.758942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.758942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.758942 (E_RNA)
where:
Base-Base interactions energy: -152.303
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.963
local terms energy: -79.493611
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -204.335444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.335444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.335444 (E_RNA)
where:
Base-Base interactions energy: -125.483
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.536
local terms energy: -78.315979
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -221.482368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.482368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.482368 (E_RNA)
where:
Base-Base interactions energy: -146.549
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.004
local terms energy: -74.929780
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -23.311
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: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -219.677668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.677668 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.002
local terms energy: -79.321041
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -211.161908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.161908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.161908 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.067
local terms energy: -78.838496
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -191.231684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231684 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -60.712
Base-Backbone interact. energy: -0.130
local terms energy: -72.370192
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -154.708186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.708186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.708186 (E_RNA)
where:
Base-Base interactions energy: -96.381
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.018
local terms energy: -58.308594
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.177
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: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -122.886658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.886658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.886658 (E_RNA)
where:
Base-Base interactions energy: -65.707
where: short stacking energy: -40.845
Base-Backbone interact. energy: -0.872
local terms energy: -56.307745
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -78.406110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406110 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -20.200
Base-Backbone interact. energy: -0.079
local terms energy: -51.679855
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.572
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: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -81.020625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.020625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.020625 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -27.164
Base-Backbone interact. energy: 1.165
local terms energy: -52.320701
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.986
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: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -224.807013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.807013 (E_RNA)
where:
Base-Base interactions energy: -153.921
where: short stacking energy: -70.821
Base-Backbone interact. energy: -0.002
local terms energy: -70.883248
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -224.257727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.257727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.257727 (E_RNA)
where:
Base-Base interactions energy: -146.470
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.022
local terms energy: -77.765553
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -221.020167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020167 (E_RNA)
where:
Base-Base interactions energy: -146.403
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.255
local terms energy: -74.362934
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -216.896938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896938 (E_RNA)
where:
Base-Base interactions energy: -143.690
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.013
local terms energy: -73.193516
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -190.787175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.787175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.787175 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -51.176
Base-Backbone interact. energy: -0.262
local terms energy: -62.667974
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -209.012363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.012363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.012363 (E_RNA)
where:
Base-Base interactions energy: -136.053
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.163
local terms energy: -72.796127
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -160.345702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.345702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.345702 (E_RNA)
where:
Base-Base interactions energy: -103.972
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.080
local terms energy: -56.293474
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -91.379270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.379270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.379270 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.236
local terms energy: -53.618098
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -92.746723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746723 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -28.458
Base-Backbone interact. energy: -0.436
local terms energy: -48.574085
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -5.863
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: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -87.422398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.422398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.422398 (E_RNA)
where:
Base-Base interactions energy: -46.525
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.190
local terms energy: -40.707370
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -227.088127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.088127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.088127 (E_RNA)
where:
Base-Base interactions energy: -149.647
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.647
local terms energy: -76.793445
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.972
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -224.967466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.967466 (E_RNA)
where:
Base-Base interactions energy: -150.877
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.013
local terms energy: -74.077641
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -225.653522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.653522 (E_RNA)
where:
Base-Base interactions energy: -149.338
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.003
local terms energy: -76.313135
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -216.004766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.004766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.004766 (E_RNA)
where:
Base-Base interactions energy: -139.116
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.002
local terms energy: -76.886358
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -192.022977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.022977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.022977 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.121
local terms energy: -69.564838
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -18.536
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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -206.904182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.904182 (E_RNA)
where:
Base-Base interactions energy: -134.255
where: short stacking energy: -58.469
Base-Backbone interact. energy: -1.028
local terms energy: -71.621500
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -155.953274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.953274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.953274 (E_RNA)
where:
Base-Base interactions energy: -98.771
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.239
local terms energy: -56.943442
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -4.590
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: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -91.098266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.098266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.098266 (E_RNA)
where:
Base-Base interactions energy: -37.377
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.062
local terms energy: -53.658500
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -6.477
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: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -83.097188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.097188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.097188 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -21.803
Base-Backbone interact. energy: -0.036
local terms energy: -40.191626
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: 1.360
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -77.473550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.473550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.473550 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -26.126
Base-Backbone interact. energy: 0.603
local terms energy: -49.351443
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -227.630774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.630774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.630774 (E_RNA)
where:
Base-Base interactions energy: -150.186
where: short stacking energy: -76.410
Base-Backbone interact. energy: 0.072
local terms energy: -77.516419
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -222.875722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.875722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.875722 (E_RNA)
where:
Base-Base interactions energy: -149.421
where: short stacking energy: -63.223
Base-Backbone interact. energy: -0.638
local terms energy: -72.816737
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -217.561800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561800 (E_RNA)
where:
Base-Base interactions energy: -145.270
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.007
local terms energy: -72.285209
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -217.055831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.055831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.055831 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.001
local terms energy: -73.515918
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -13.783
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -192.088074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.088074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.088074 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.002
local terms energy: -66.853201
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -186.656638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.656638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.656638 (E_RNA)
where:
Base-Base interactions energy: -125.075
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.024
local terms energy: -61.558088
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -91.526546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.526546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.526546 (E_RNA)
where:
Base-Base interactions energy: -33.132
where: short stacking energy: -27.082
Base-Backbone interact. energy: -0.215
local terms energy: -58.179575
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -134.232333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.232333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.232333 (E_RNA)
where:
Base-Base interactions energy: -79.448
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.131
local terms energy: -54.653205
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -97.360302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.360302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.360302 (E_RNA)
where:
Base-Base interactions energy: -47.542
where: short stacking energy: -31.389
Base-Backbone interact. energy: -0.412
local terms energy: -49.406290
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -1.507
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: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -96.536740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.536740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.536740 (E_RNA)
where:
Base-Base interactions energy: -46.279
where: short stacking energy: -25.730
Base-Backbone interact. energy: -1.099
local terms energy: -49.158437
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: 1.224
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: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -227.095821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.095821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.095821 (E_RNA)
where:
Base-Base interactions energy: -149.531
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.006
local terms energy: -77.558266
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -228.597768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.597768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.597768 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -71.145
Base-Backbone interact. energy: 1.451
local terms energy: -80.382850
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -13.748
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: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -219.789543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.789543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.789543 (E_RNA)
where:
Base-Base interactions energy: -147.579
where: short stacking energy: -72.077
Base-Backbone interact. energy: -0.211
local terms energy: -72.000006
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -199.106810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.106810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.106810 (E_RNA)
where:
Base-Base interactions energy: -130.275
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.486
local terms energy: -68.345498
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -211.897777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.897777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.897777 (E_RNA)
where:
Base-Base interactions energy: -141.509
where: short stacking energy: -66.946
Base-Backbone interact. energy: -0.006
local terms energy: -70.382787
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -21.111
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -177.385328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.385328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.385328 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -47.515
Base-Backbone interact. energy: -0.181
local terms energy: -66.629429
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -112.223289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.223289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.223289 (E_RNA)
where:
Base-Base interactions energy: -67.559
where: short stacking energy: -34.711
Base-Backbone interact. energy: 0.321
local terms energy: -44.985889
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -92.813784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.813784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.813784 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -29.564
Base-Backbone interact. energy: -0.073
local terms energy: -62.468768
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -117.648547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.648547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.648547 (E_RNA)
where:
Base-Base interactions energy: -66.851
where: short stacking energy: -38.739
Base-Backbone interact. energy: -0.020
local terms energy: -50.778362
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -6.896
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: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -91.169893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.169893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.169893 (E_RNA)
where:
Base-Base interactions energy: -42.506
where: short stacking energy: -24.985
Base-Backbone interact. energy: 1.040
local terms energy: -49.703366
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -228.458583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.458583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.458583 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -76.589
Base-Backbone interact. energy: -0.006
local terms energy: -72.521745
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -224.447451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.447451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.447451 (E_RNA)
where:
Base-Base interactions energy: -148.658
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.593
local terms energy: -75.196331
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -22.142
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: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -221.604415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.604415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.604415 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.814
local terms energy: -75.732991
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -204.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.971915 (E_RNA)
where:
Base-Base interactions energy: -132.041
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.000
local terms energy: -72.931061
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -165.665721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.665721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.665721 (E_RNA)
where:
Base-Base interactions energy: -103.596
where: short stacking energy: -39.867
Base-Backbone interact. energy: 0.340
local terms energy: -62.410125
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -210.157944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.157944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.157944 (E_RNA)
where:
Base-Base interactions energy: -141.154
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.662
local terms energy: -68.341873
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -11.134
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: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -88.495635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.495635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.495635 (E_RNA)
where:
Base-Base interactions energy: -39.925
where: short stacking energy: -32.762
Base-Backbone interact. energy: 0.404
local terms energy: -48.974371
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -6.330
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: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -88.037501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037501 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -17.210
Base-Backbone interact. energy: -0.197
local terms energy: -41.444095
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: 1.342
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: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -83.778464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.778464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.778464 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -32.305
Base-Backbone interact. energy: -0.108
local terms energy: -49.261186
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -89.564608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.564608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.564608 (E_RNA)
where:
Base-Base interactions energy: -42.095
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.319
local terms energy: -47.150875
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.525
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: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -227.993487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.993487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.993487 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.331
local terms energy: -77.253789
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -20.734
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -227.505642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.505642 (E_RNA)
where:
Base-Base interactions energy: -149.619
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.246
local terms energy: -77.640585
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -220.890808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.890808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.890808 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.124
local terms energy: -71.790001
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -206.520585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.520585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.520585 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.004
local terms energy: -73.387983
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.854
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: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -186.071802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.071802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.071802 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.041
local terms energy: -65.114625
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.075
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: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -167.640926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.640926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.640926 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.211
local terms energy: -60.539787
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.844
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: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -108.296799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.296799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.296799 (E_RNA)
where:
Base-Base interactions energy: -53.747
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.044
local terms energy: -54.506304
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -93.569152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.569152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.569152 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -36.907
Base-Backbone interact. energy: 0.170
local terms energy: -53.135949
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -82.588833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.588833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.588833 (E_RNA)
where:
Base-Base interactions energy: -21.783
where: short stacking energy: -19.833
Base-Backbone interact. energy: -0.215
local terms energy: -60.591273
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -12.862
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: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.142137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.142137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.142137 (E_RNA)
where:
Base-Base interactions energy: -23.975
where: short stacking energy: -22.972
Base-Backbone interact. energy: 0.242
local terms energy: -53.409089
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -228.372217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.372217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.372217 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -76.673
Base-Backbone interact. energy: -0.184
local terms energy: -75.476406
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -20.000
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -230.392186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392186 (E_RNA)
where:
Base-Base interactions energy: -150.966
where: short stacking energy: -77.875
Base-Backbone interact. energy: -0.005
local terms energy: -79.421371
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -205.975234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.975234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.975234 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.630
local terms energy: -72.137507
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -206.378284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.378284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.378284 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.054
local terms energy: -66.394231
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -19.463
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: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -198.305268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.305268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.305268 (E_RNA)
where:
Base-Base interactions energy: -130.892
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.290
local terms energy: -67.122718
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -180.767404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.767404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.767404 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -51.544
Base-Backbone interact. energy: 0.860
local terms energy: -64.635951
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -91.912255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.912255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.912255 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -32.566
Base-Backbone interact. energy: -0.095
local terms energy: -54.999385
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.452367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.452367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.452367 (E_RNA)
where:
Base-Base interactions energy: -42.911
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.108
local terms energy: -54.432999
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -11.911
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: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -79.301459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.301459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.301459 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.038
local terms energy: -43.614590
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -5.887
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: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -69.557276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.557276 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -26.769
Base-Backbone interact. energy: -0.601
local terms energy: -39.550430
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 0.390
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -232.967918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.967918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.967918 (E_RNA)
where:
Base-Base interactions energy: -156.617
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.136
local terms energy: -76.214997
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -20.341
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: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -228.802237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.802237 (E_RNA)
where:
Base-Base interactions energy: -145.601
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.103
local terms energy: -83.098096
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -210.886474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.886474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.886474 (E_RNA)
where:
Base-Base interactions energy: -137.626
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.004
local terms energy: -73.255917
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -202.689846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.689846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.689846 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.822
local terms energy: -73.030148
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -190.251417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.251417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.251417 (E_RNA)
where:
Base-Base interactions energy: -122.684
where: short stacking energy: -61.926
Base-Backbone interact. energy: -0.100
local terms energy: -67.467351
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -176.464529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.464529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.464529 (E_RNA)
where:
Base-Base interactions energy: -119.467
where: short stacking energy: -56.108
Base-Backbone interact. energy: 2.978
local terms energy: -59.976301
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -90.623342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.623342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.623342 (E_RNA)
where:
Base-Base interactions energy: -38.716
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.392
local terms energy: -51.514591
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -5.013
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -95.963550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963550 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -24.801
Base-Backbone interact. energy: 0.413
local terms energy: -49.151409
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -74.356109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.356109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.356109 (E_RNA)
where:
Base-Base interactions energy: -36.887
where: short stacking energy: -18.751
Base-Backbone interact. energy: 0.265
local terms energy: -37.734102
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -2.138
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: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -83.305724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.305724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.305724 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.054
local terms energy: -50.421267
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -231.187321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.187321 (E_RNA)
where:
Base-Base interactions energy: -153.338
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.124
local terms energy: -77.725299
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.024
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: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -225.888248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.888248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.888248 (E_RNA)
where:
Base-Base interactions energy: -150.898
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.008
local terms energy: -74.982318
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -208.626493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626493 (E_RNA)
where:
Base-Base interactions energy: -134.032
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.067
local terms energy: -74.526618
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -196.963309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963309 (E_RNA)
where:
Base-Base interactions energy: -133.237
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.050
local terms energy: -63.676040
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -187.001873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.001873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.001873 (E_RNA)
where:
Base-Base interactions energy: -119.635
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.192
local terms energy: -67.174346
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -178.776418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.776418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.776418 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.029
local terms energy: -59.129668
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -2.085
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -105.123641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.123641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.123641 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.568
local terms energy: -55.911965
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -84.813235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813235 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -18.852
Base-Backbone interact. energy: -0.043
local terms energy: -49.551177
where:
bonds (distance) C4'-P energy: -6.595
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -79.029970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.029970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.029970 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.121
local terms energy: -49.058479
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -86.277541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.277541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.277541 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.002
local terms energy: -52.372414
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -10.840
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -229.630227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.630227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.630227 (E_RNA)
where:
Base-Base interactions energy: -154.041
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.285
local terms energy: -75.303401
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -219.131715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.131715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.131715 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.000
local terms energy: -73.285557
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -214.357009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.357009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.357009 (E_RNA)
where:
Base-Base interactions energy: -135.876
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.135
local terms energy: -78.345688
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -19.704
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: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -217.518538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.518538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.518538 (E_RNA)
where:
Base-Base interactions energy: -145.467
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.022
local terms energy: -72.029356
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -181.024401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.024401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.024401 (E_RNA)
where:
Base-Base interactions energy: -112.467
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.038
local terms energy: -68.519868
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -195.442968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.442968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.442968 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -69.431
Base-Backbone interact. energy: 0.148
local terms energy: -67.794527
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -97.061316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.061316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.061316 (E_RNA)
where:
Base-Base interactions energy: -39.639
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.191
local terms energy: -57.231127
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -6.149
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: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -104.816131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.816131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.816131 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.000
local terms energy: -64.043023
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.674
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: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -85.982523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.982523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.982523 (E_RNA)
where:
Base-Base interactions energy: -33.157
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.005
local terms energy: -52.820360
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -4.730
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -83.318638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318638 (E_RNA)
where:
Base-Base interactions energy: -33.217
where: short stacking energy: -31.613
Base-Backbone interact. energy: -0.276
local terms energy: -49.825330
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -232.140577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.140577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.140577 (E_RNA)
where:
Base-Base interactions energy: -148.119
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.475
local terms energy: -83.546032
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -229.741131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.741131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741131 (E_RNA)
where:
Base-Base interactions energy: -152.941
where: short stacking energy: -77.248
Base-Backbone interact. energy: -0.006
local terms energy: -76.794413
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -218.575434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.575434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.575434 (E_RNA)
where:
Base-Base interactions energy: -142.442
where: short stacking energy: -73.772
Base-Backbone interact. energy: -0.635
local terms energy: -75.498349
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -217.231353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.231353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.231353 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.004
local terms energy: -77.707583
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -208.981976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.981976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.981976 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.014
local terms energy: -70.049793
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.829
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: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -175.093145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.093145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.093145 (E_RNA)
where:
Base-Base interactions energy: -108.910
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.045
local terms energy: -66.138530
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -13.075
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: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -93.653945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.653945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.653945 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -33.979
Base-Backbone interact. energy: -0.067
local terms energy: -58.203503
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -5.833
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.670982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.670982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.670982 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.016
local terms energy: -49.768291
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -0.826
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: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -100.978381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.978381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.978381 (E_RNA)
where:
Base-Base interactions energy: -55.007
where: short stacking energy: -29.619
Base-Backbone interact. energy: -0.029
local terms energy: -45.942557
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -85.774252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774252 (E_RNA)
where:
Base-Base interactions energy: -43.643
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.021
local terms energy: -42.110217
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -0.956
tors. eta vs tors. theta energy: -5.928
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: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -228.528530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.528530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.528530 (E_RNA)
where:
Base-Base interactions energy: -147.955
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.034
local terms energy: -80.539818
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -237.316261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.316261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.316261 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -70.403
Base-Backbone interact. energy: -0.014
local terms energy: -82.519674
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -222.021890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.021890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.021890 (E_RNA)
where:
Base-Base interactions energy: -148.052
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.020
local terms energy: -73.949999
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -214.485026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.485026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.485026 (E_RNA)
where:
Base-Base interactions energy: -138.101
where: short stacking energy: -68.024
Base-Backbone interact. energy: 0.771
local terms energy: -77.154816
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -19.341
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -211.600329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.600329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.600329 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.042
local terms energy: -68.387351
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -177.813154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.813154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.813154 (E_RNA)
where:
Base-Base interactions energy: -108.650
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.030
local terms energy: -69.133801
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -92.916784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.916784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.916784 (E_RNA)
where:
Base-Base interactions energy: -39.285
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.035
local terms energy: -53.596184
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -102.544748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.544748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.544748 (E_RNA)
where:
Base-Base interactions energy: -50.127
where: short stacking energy: -23.605
Base-Backbone interact. energy: -0.948
local terms energy: -51.469603
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -74.885163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.885163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.885163 (E_RNA)
where:
Base-Base interactions energy: -32.674
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.396
local terms energy: -41.815771
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -3.153
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -71.693394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.693394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.693394 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -9.141
Base-Backbone interact. energy: 1.854
local terms energy: -51.455911
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: 0.939
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: 380
Temperature: 0.900000
Total energy: -230.372416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.372416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.372416 (E_RNA)
where:
Base-Base interactions energy: -151.059
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.003
local terms energy: -79.310656
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -233.258579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.258579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.258579 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.340
local terms energy: -79.466102
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -231.249275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.249275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.249275 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -72.547
Base-Backbone interact. energy: -0.994
local terms energy: -76.402865
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -215.298337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.298337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.298337 (E_RNA)
where:
Base-Base interactions energy: -136.134
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.004
local terms energy: -79.160090
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -182.524741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.524741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.524741 (E_RNA)
where:
Base-Base interactions energy: -117.343
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.238
local terms energy: -64.943774
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -180.617837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.617837 (E_RNA)
where:
Base-Base interactions energy: -112.754
where: short stacking energy: -57.541
Base-Backbone interact. energy: 0.535
local terms energy: -68.398998
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -150.027831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.027831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.027831 (E_RNA)
where:
Base-Base interactions energy: -82.502
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.027
local terms energy: -67.499444
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -82.879833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.879833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.879833 (E_RNA)
where:
Base-Base interactions energy: -30.982
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.164
local terms energy: -51.733341
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -80.668866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.668866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.668866 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.340
local terms energy: -44.499490
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -75.260968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.260968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.260968 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.008
local terms energy: -39.912443
where:
bonds (distance) C4'-P energy: -4.029
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -234.762314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.762314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.762314 (E_RNA)
where:
Base-Base interactions energy: -150.738
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.002
local terms energy: -84.022247
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -229.997301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.997301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.997301 (E_RNA)
where:
Base-Base interactions energy: -156.428
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.001
local terms energy: -73.568073
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -217.744155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.744155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.744155 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.001
local terms energy: -74.761021
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -206.845315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.845315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.845315 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.158
local terms energy: -63.131760
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -198.177256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177256 (E_RNA)
where:
Base-Base interactions energy: -125.209
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.107
local terms energy: -72.862007
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -18.623
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -180.580343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.580343 (E_RNA)
where:
Base-Base interactions energy: -119.757
where: short stacking energy: -59.482
Base-Backbone interact. energy: -1.662
local terms energy: -59.160904
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -117.944350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.944350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.944350 (E_RNA)
where:
Base-Base interactions energy: -69.102
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.692
local terms energy: -48.150591
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -7.844
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -90.052858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.052858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.052858 (E_RNA)
where:
Base-Base interactions energy: -42.617
where: short stacking energy: -36.478
Base-Backbone interact. energy: -0.239
local terms energy: -47.196463
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -92.447822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.447822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.447822 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -26.701
Base-Backbone interact. energy: -0.030
local terms energy: -47.703666
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -77.239341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.239341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.239341 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.625
Base-Backbone interact. energy: -0.019
local terms energy: -47.583152
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -3.905
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -224.192332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.192332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.192332 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -71.690
Base-Backbone interact. energy: -0.002
local terms energy: -76.540131
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -233.450017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.450017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.450017 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.632
local terms energy: -80.444963
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -217.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.944487 (E_RNA)
where:
Base-Base interactions energy: -146.971
where: short stacking energy: -69.188
Base-Backbone interact. energy: -0.021
local terms energy: -70.952385
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -22.082
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -230.719981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.719981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.719981 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.009
local terms energy: -77.852324
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -213.038446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.038446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.038446 (E_RNA)
where:
Base-Base interactions energy: -140.875
where: short stacking energy: -70.291
Base-Backbone interact. energy: -0.011
local terms energy: -72.152410
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -172.544610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544610 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -53.503
Base-Backbone interact. energy: -0.016
local terms energy: -63.755902
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -106.125480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125480 (E_RNA)
where:
Base-Base interactions energy: -56.055
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.528
local terms energy: -49.542354
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -137.925827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.925827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.925827 (E_RNA)
where:
Base-Base interactions energy: -73.097
where: short stacking energy: -38.881
Base-Backbone interact. energy: -0.090
local terms energy: -64.738047
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -78.051127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.051127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.051127 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -22.060
Base-Backbone interact. energy: 1.186
local terms energy: -47.953662
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -73.084459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.084459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.084459 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.118
local terms energy: -34.463930
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -6.415
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -237.816688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.816688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.816688 (E_RNA)
where:
Base-Base interactions energy: -155.320
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.002
local terms energy: -82.494731
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -224.538101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.538101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.538101 (E_RNA)
where:
Base-Base interactions energy: -148.742
where: short stacking energy: -75.177
Base-Backbone interact. energy: -0.215
local terms energy: -75.581029
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.893
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: 383
Temperature: 1.000000
Total energy: -226.779252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.779252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.779252 (E_RNA)
where:
Base-Base interactions energy: -146.821
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.002
local terms energy: -79.955904
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -224.649057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.649057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.649057 (E_RNA)
where:
Base-Base interactions energy: -154.816
where: short stacking energy: -74.687
Base-Backbone interact. energy: 2.345
local terms energy: -72.178295
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -21.055
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: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -206.834631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.834631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.834631 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -63.346
Base-Backbone interact. energy: -0.002
local terms energy: -69.208977
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -171.280833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.280833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.280833 (E_RNA)
where:
Base-Base interactions energy: -116.167
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.003
local terms energy: -55.110623
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -10.450
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -151.176193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.176193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.176193 (E_RNA)
where:
Base-Base interactions energy: -90.339
where: short stacking energy: -42.093
Base-Backbone interact. energy: -0.287
local terms energy: -60.550218
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -121.736173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.736173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.736173 (E_RNA)
where:
Base-Base interactions energy: -75.755
where: short stacking energy: -35.165
Base-Backbone interact. energy: -1.096
local terms energy: -44.885065
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -129.102156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.102156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.102156 (E_RNA)
where:
Base-Base interactions energy: -75.702
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.038
local terms energy: -53.362951
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -10.744
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: 383
Temperature: 1.350000
Total energy: -80.877965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877965 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -24.686
Base-Backbone interact. energy: -1.002
local terms energy: -48.555993
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -228.295453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.295453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.295453 (E_RNA)
where:
Base-Base interactions energy: -151.401
where: short stacking energy: -77.775
Base-Backbone interact. energy: -0.266
local terms energy: -76.628305
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -8.772
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: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -227.312539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.312539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.312539 (E_RNA)
where:
Base-Base interactions energy: -151.643
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.001
local terms energy: -75.668181
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -214.534875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.534875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.534875 (E_RNA)
where:
Base-Base interactions energy: -144.990
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.005
local terms energy: -69.539786
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -211.360441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.360441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.360441 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -69.154
Base-Backbone interact. energy: -0.003
local terms energy: -74.564377
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -21.491
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: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -211.902765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.902765 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -65.771
Base-Backbone interact. energy: -0.072
local terms energy: -69.083770
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -173.245184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.245184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.245184 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.040
local terms energy: -55.827186
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.352
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: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -174.110374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.110374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.110374 (E_RNA)
where:
Base-Base interactions energy: -113.327
where: short stacking energy: -50.748
Base-Backbone interact. energy: -0.106
local terms energy: -60.677872
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -7.800
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: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -137.296183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.296183 (E_RNA)
where:
Base-Base interactions energy: -83.037
where: short stacking energy: -43.053
Base-Backbone interact. energy: -0.151
local terms energy: -54.108173
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -9.143
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -119.582222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.582222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.582222 (E_RNA)
where:
Base-Base interactions energy: -75.063
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.021
local terms energy: -44.498979
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -83.294531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.294531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.294531 (E_RNA)
where:
Base-Base interactions energy: -42.506
where: short stacking energy: -35.737
Base-Backbone interact. energy: -0.427
local terms energy: -40.361755
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -233.499070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.499070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.499070 (E_RNA)
where:
Base-Base interactions energy: -155.919
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.009
local terms energy: -77.570591
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -220.429773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.429773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.429773 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.015
local terms energy: -73.612364
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -222.513613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513613 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.016
local terms energy: -77.569758
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -12.204
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: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -213.770510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.770510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.770510 (E_RNA)
where:
Base-Base interactions energy: -143.569
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.131
local terms energy: -70.070755
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -211.237990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.237990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.237990 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.001
local terms energy: -73.874160
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -22.436
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: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -176.728250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.728250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.728250 (E_RNA)
where:
Base-Base interactions energy: -118.190
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.080
local terms energy: -58.458584
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -3.858
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: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -170.109748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.109748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.109748 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -55.146
Base-Backbone interact. energy: -0.002
local terms energy: -55.603550
where:
bonds (distance) C4'-P energy: -4.670
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.202
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: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -103.604394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604394 (E_RNA)
where:
Base-Base interactions energy: -48.933
where: short stacking energy: -19.539
Base-Backbone interact. energy: -0.473
local terms energy: -54.198589
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -76.009162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009162 (E_RNA)
where:
Base-Base interactions energy: -28.226
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.332
local terms energy: -47.451676
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -5.965
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: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -81.451083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.451083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.451083 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -15.030
Base-Backbone interact. energy: -0.838
local terms energy: -40.956841
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: 2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -234.439115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.439115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.439115 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -74.651
Base-Backbone interact. energy: 2.107
local terms energy: -75.829452
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -18.572
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -235.238041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.238041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.238041 (E_RNA)
where:
Base-Base interactions energy: -160.518
where: short stacking energy: -82.764
Base-Backbone interact. energy: -0.017
local terms energy: -74.703870
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -215.255495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.255495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.255495 (E_RNA)
where:
Base-Base interactions energy: -147.134
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.036
local terms energy: -68.085634
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -209.669860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.669860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.669860 (E_RNA)
where:
Base-Base interactions energy: -134.154
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.000
local terms energy: -75.515042
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -204.219965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.219965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.219965 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.009
local terms energy: -68.277707
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -172.924882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.924882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.924882 (E_RNA)
where:
Base-Base interactions energy: -123.906
where: short stacking energy: -60.528
Base-Backbone interact. energy: 0.392
local terms energy: -49.411042
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -178.545406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.545406 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.005
local terms energy: -59.596487
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -87.339384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.339384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.339384 (E_RNA)
where:
Base-Base interactions energy: -40.057
where: short stacking energy: -32.735
Base-Backbone interact. energy: -0.353
local terms energy: -46.929147
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -4.870
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.177423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.177423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.177423 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -37.486
Base-Backbone interact. energy: -1.682
local terms energy: -45.626187
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -91.692764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692764 (E_RNA)
where:
Base-Base interactions energy: -27.364
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.044
local terms energy: -64.285217
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -230.533229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.533229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.533229 (E_RNA)
where:
Base-Base interactions energy: -154.302
where: short stacking energy: -68.955
Base-Backbone interact. energy: -0.019
local terms energy: -76.212310
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -221.741135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741135 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.098
local terms energy: -77.130181
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -220.465329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.465329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.465329 (E_RNA)
where:
Base-Base interactions energy: -149.839
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.001
local terms energy: -70.626050
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -210.094302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.094302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.094302 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.130
local terms energy: -69.378872
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -208.912292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.912292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.912292 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.008
local terms energy: -74.545403
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -178.088118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.088118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.088118 (E_RNA)
where:
Base-Base interactions energy: -114.200
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.017
local terms energy: -63.871378
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -158.446845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.446845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.446845 (E_RNA)
where:
Base-Base interactions energy: -103.534
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.147
local terms energy: -54.765643
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -87.126578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126578 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.025
local terms energy: -52.389131
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -6.489
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: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -82.171312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171312 (E_RNA)
where:
Base-Base interactions energy: -26.100
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.098
local terms energy: -55.973074
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -81.002872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002872 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -18.246
Base-Backbone interact. energy: -0.301
local terms energy: -55.144588
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -230.221234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.221234 (E_RNA)
where:
Base-Base interactions energy: -153.275
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.003
local terms energy: -76.942568
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -229.597508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.597508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.597508 (E_RNA)
where:
Base-Base interactions energy: -149.788
where: short stacking energy: -74.468
Base-Backbone interact. energy: 0.765
local terms energy: -80.574209
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -217.599802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599802 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -71.009
Base-Backbone interact. energy: 1.229
local terms energy: -75.721039
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -21.602
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -216.309818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.309818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.309818 (E_RNA)
where:
Base-Base interactions energy: -143.080
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.001
local terms energy: -73.228704
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -209.707163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.707163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707163 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -70.612
Base-Backbone interact. energy: 0.347
local terms energy: -68.762836
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.110
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: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -185.216579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.216579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.216579 (E_RNA)
where:
Base-Base interactions energy: -115.282
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.089
local terms energy: -69.845196
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -102.597274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.597274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.597274 (E_RNA)
where:
Base-Base interactions energy: -49.429
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.004
local terms energy: -53.164065
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -188.332349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.332349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.332349 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -57.957
Base-Backbone interact. energy: 0.366
local terms energy: -67.257312
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -81.420501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.420501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.420501 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.013
local terms energy: -48.355956
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -72.887231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.887231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.887231 (E_RNA)
where:
Base-Base interactions energy: -28.427
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.035
local terms energy: -44.425395
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -8.135
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -226.416721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.416721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.416721 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -76.255
Base-Backbone interact. energy: -0.003
local terms energy: -74.056438
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -218.749969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.749969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.749969 (E_RNA)
where:
Base-Base interactions energy: -139.134
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.008
local terms energy: -79.608008
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -21.896
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: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -222.197319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.197319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.197319 (E_RNA)
where:
Base-Base interactions energy: -152.420
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.076
local terms energy: -69.701950
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -216.233695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.233695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.233695 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.009
local terms energy: -73.413118
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -17.674
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: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -212.172282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.172282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.172282 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -65.706
Base-Backbone interact. energy: 1.276
local terms energy: -69.716933
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -184.353679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.353679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.353679 (E_RNA)
where:
Base-Base interactions energy: -121.001
where: short stacking energy: -52.490
Base-Backbone interact. energy: -0.181
local terms energy: -63.171963
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -90.184346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.184346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.184346 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -36.174
Base-Backbone interact. energy: -0.062
local terms energy: -51.986157
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -164.475011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.475011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.475011 (E_RNA)
where:
Base-Base interactions energy: -110.468
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.258
local terms energy: -53.749801
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -81.717516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.717516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.717516 (E_RNA)
where:
Base-Base interactions energy: -32.792
where: short stacking energy: -22.405
Base-Backbone interact. energy: -0.341
local terms energy: -48.584365
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -70.335530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.335530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.335530 (E_RNA)
where:
Base-Base interactions energy: -16.552
where: short stacking energy: -15.730
Base-Backbone interact. energy: 0.196
local terms energy: -53.979184
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -222.350233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.350233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.350233 (E_RNA)
where:
Base-Base interactions energy: -143.488
where: short stacking energy: -69.184
Base-Backbone interact. energy: -1.080
local terms energy: -77.781512
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -223.153447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.153447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.153447 (E_RNA)
where:
Base-Base interactions energy: -137.293
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.056
local terms energy: -85.804103
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -215.504619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.504619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.504619 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.654
local terms energy: -78.314381
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -215.192759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192759 (E_RNA)
where:
Base-Base interactions energy: -145.193
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.000
local terms energy: -69.999057
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -205.938566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.938566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.938566 (E_RNA)
where:
Base-Base interactions energy: -132.061
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.002
local terms energy: -73.875018
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -176.283193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.283193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.283193 (E_RNA)
where:
Base-Base interactions energy: -112.999
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.032
local terms energy: -63.251867
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -114.531906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.531906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.531906 (E_RNA)
where:
Base-Base interactions energy: -62.868
where: short stacking energy: -33.320
Base-Backbone interact. energy: -1.735
local terms energy: -49.928360
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -90.205096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.205096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.205096 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.414
local terms energy: -51.453295
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.179807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.179807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.179807 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -11.712
Base-Backbone interact. energy: -0.179
local terms energy: -49.049218
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -6.337
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -80.827546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.827546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.827546 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -32.585
Base-Backbone interact. energy: 0.939
local terms energy: -45.566323
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -228.223966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.223966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.223966 (E_RNA)
where:
Base-Base interactions energy: -151.179
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.035
local terms energy: -77.009710
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -226.429841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.429841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.429841 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -72.221
Base-Backbone interact. energy: -0.281
local terms energy: -75.125934
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -8.503
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: 391
Temperature: 1.000000
Total energy: -229.739350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.739350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.739350 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.267
local terms energy: -78.573234
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -197.830736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.830736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.830736 (E_RNA)
where:
Base-Base interactions energy: -125.341
where: short stacking energy: -64.116
Base-Backbone interact. energy: 0.511
local terms energy: -73.001267
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -214.354429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.354429 (E_RNA)
where:
Base-Base interactions energy: -133.194
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.284
local terms energy: -80.876068
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -179.895691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.895691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895691 (E_RNA)
where:
Base-Base interactions energy: -113.663
where: short stacking energy: -53.990
Base-Backbone interact. energy: -0.014
local terms energy: -66.218251
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -96.383086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.383086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.383086 (E_RNA)
where:
Base-Base interactions energy: -40.388
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.008
local terms energy: -55.986984
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -86.860942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860942 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -36.542
Base-Backbone interact. energy: -0.550
local terms energy: -44.917690
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 0.241
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: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -81.800336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.800336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.800336 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -29.636
Base-Backbone interact. energy: 1.117
local terms energy: -51.361838
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -80.085217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.085217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.085217 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -21.040
Base-Backbone interact. energy: -0.267
local terms energy: -51.332896
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -228.187656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.187656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.187656 (E_RNA)
where:
Base-Base interactions energy: -148.033
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.619
local terms energy: -79.536451
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -230.529467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.529467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.529467 (E_RNA)
where:
Base-Base interactions energy: -153.591
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.035
local terms energy: -76.903691
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -20.734
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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -227.586799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.586799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.586799 (E_RNA)
where:
Base-Base interactions energy: -151.938
where: short stacking energy: -75.211
Base-Backbone interact. energy: -0.001
local terms energy: -75.647656
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -209.294863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.294863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.294863 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.007
local terms energy: -71.831936
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -19.559
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: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -181.140793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.140793 (E_RNA)
where:
Base-Base interactions energy: -118.288
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.044
local terms energy: -62.809530
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.971
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: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -212.546926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.546926 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.240
local terms energy: -70.548801
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -17.699
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -104.130926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.130926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.130926 (E_RNA)
where:
Base-Base interactions energy: -53.502
where: short stacking energy: -45.833
Base-Backbone interact. energy: 0.901
local terms energy: -51.529989
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -87.887152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.887152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.887152 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.257
local terms energy: -58.403336
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -8.874
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -103.721691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.721691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.721691 (E_RNA)
where:
Base-Base interactions energy: -45.014
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.090
local terms energy: -58.617679
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -6.384
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: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -82.715408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.715408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.715408 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.175
local terms energy: -45.298825
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -237.094456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.094456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.094456 (E_RNA)
where:
Base-Base interactions energy: -153.431
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.027
local terms energy: -83.637075
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -223.177538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.177538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.177538 (E_RNA)
where:
Base-Base interactions energy: -151.268
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.005
local terms energy: -71.904025
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -225.007967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007967 (E_RNA)
where:
Base-Base interactions energy: -144.587
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.292
local terms energy: -80.128500
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -209.322855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.322855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.322855 (E_RNA)
where:
Base-Base interactions energy: -146.192
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.003
local terms energy: -63.127760
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.419
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: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -193.297221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.297221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297221 (E_RNA)
where:
Base-Base interactions energy: -122.738
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.014
local terms energy: -70.545843
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -12.505
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: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -209.464174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.464174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464174 (E_RNA)
where:
Base-Base interactions energy: -136.008
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.667
local terms energy: -72.789972
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -12.586
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: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -126.724488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.724488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.724488 (E_RNA)
where:
Base-Base interactions energy: -68.241
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.356
local terms energy: -58.127616
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -97.097244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097244 (E_RNA)
where:
Base-Base interactions energy: -53.068
where: short stacking energy: -37.945
Base-Backbone interact. energy: -0.536
local terms energy: -43.493454
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -5.018
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -80.668074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.668074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.668074 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -20.565
Base-Backbone interact. energy: -0.298
local terms energy: -47.294013
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: 2.895
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: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -74.406496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.406496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.406496 (E_RNA)
where:
Base-Base interactions energy: -16.674
where: short stacking energy: -14.981
Base-Backbone interact. energy: -0.247
local terms energy: -57.485488
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -228.706414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.706414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.706414 (E_RNA)
where:
Base-Base interactions energy: -148.474
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.789
local terms energy: -79.443531
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -22.000
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: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -226.613568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.613568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.613568 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.580
local terms energy: -76.351529
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -217.179176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.179176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.179176 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.033
local terms energy: -69.141376
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -19.409
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: 394
Temperature: 1.050000
Total energy: -217.842720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.842720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.842720 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.100
local terms energy: -71.992051
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -201.505501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.505501 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.029
local terms energy: -71.500430
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -189.852890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.852890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.852890 (E_RNA)
where:
Base-Base interactions energy: -124.987
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.048
local terms energy: -64.818099
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -10.781
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: 394
Temperature: 1.200000
Total energy: -123.311058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.311058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.311058 (E_RNA)
where:
Base-Base interactions energy: -63.608
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.240
local terms energy: -59.463010
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -95.364401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.364401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.364401 (E_RNA)
where:
Base-Base interactions energy: -43.262
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.082
local terms energy: -52.020713
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -85.844496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.844496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.844496 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.145
local terms energy: -49.719659
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -75.183429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.183429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.183429 (E_RNA)
where:
Base-Base interactions energy: -25.020
where: short stacking energy: -25.020
Base-Backbone interact. energy: -0.107
local terms energy: -50.057091
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -5.108
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -230.541890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.541890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.541890 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -78.233
Base-Backbone interact. energy: -0.301
local terms energy: -80.025797
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -228.126682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.126682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.126682 (E_RNA)
where:
Base-Base interactions energy: -156.419
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.497
local terms energy: -71.211072
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -19.367
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: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -222.421963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.421963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.421963 (E_RNA)
where:
Base-Base interactions energy: -148.038
where: short stacking energy: -73.175
Base-Backbone interact. energy: 0.977
local terms energy: -75.360785
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -212.295379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295379 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.279
local terms energy: -79.418437
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -210.372888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.372888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.372888 (E_RNA)
where:
Base-Base interactions energy: -145.626
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.140
local terms energy: -64.607231
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -183.017790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.017790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.017790 (E_RNA)
where:
Base-Base interactions energy: -117.771
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.027
local terms energy: -65.220060
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -91.312250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312250 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.196
local terms energy: -48.787794
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -84.358281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358281 (E_RNA)
where:
Base-Base interactions energy: -37.038
where: short stacking energy: -23.214
Base-Backbone interact. energy: -1.848
local terms energy: -45.471754
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -80.840939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840939 (E_RNA)
where:
Base-Base interactions energy: -34.503
where: short stacking energy: -34.185
Base-Backbone interact. energy: 0.329
local terms energy: -46.666813
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -0.117
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -82.054061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054061 (E_RNA)
where:
Base-Base interactions energy: -29.245
where: short stacking energy: -29.016
Base-Backbone interact. energy: 0.447
local terms energy: -53.255553
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -235.005298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.005298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.005298 (E_RNA)
where:
Base-Base interactions energy: -155.255
where: short stacking energy: -81.838
Base-Backbone interact. energy: -0.022
local terms energy: -79.728297
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -233.476666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.476666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.476666 (E_RNA)
where:
Base-Base interactions energy: -152.972
where: short stacking energy: -79.604
Base-Backbone interact. energy: -0.000
local terms energy: -80.504411
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -223.900891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.900891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.900891 (E_RNA)
where:
Base-Base interactions energy: -143.566
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.039
local terms energy: -80.296349
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -207.158810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.158810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.158810 (E_RNA)
where:
Base-Base interactions energy: -127.786
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.058
local terms energy: -79.314676
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -211.870676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.870676 (E_RNA)
where:
Base-Base interactions energy: -141.443
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.004
local terms energy: -70.423716
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -181.995344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.995344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.995344 (E_RNA)
where:
Base-Base interactions energy: -121.303
where: short stacking energy: -49.042
Base-Backbone interact. energy: -0.537
local terms energy: -60.155083
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -98.284588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.284588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.284588 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.430
local terms energy: -47.518740
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.597167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.597167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.597167 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.449
local terms energy: -52.138801
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -3.345
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -78.546532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.546532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.546532 (E_RNA)
where:
Base-Base interactions energy: -25.406
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.109
local terms energy: -53.031436
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -4.012
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.900809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.900809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.900809 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.117
local terms energy: -45.382870
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -232.392355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392355 (E_RNA)
where:
Base-Base interactions energy: -155.645
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.642
local terms energy: -76.105074
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -223.806527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.806527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.806527 (E_RNA)
where:
Base-Base interactions energy: -152.454
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.394
local terms energy: -70.958925
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -216.569091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.569091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.569091 (E_RNA)
where:
Base-Base interactions energy: -146.142
where: short stacking energy: -68.028
Base-Backbone interact. energy: 1.071
local terms energy: -71.498426
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -219.420933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.420933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.420933 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.019
local terms energy: -73.112800
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -20.465
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: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -198.144287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.144287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.144287 (E_RNA)
where:
Base-Base interactions energy: -125.779
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.127
local terms energy: -72.238041
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -19.810
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -179.470303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.470303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.470303 (E_RNA)
where:
Base-Base interactions energy: -118.326
where: short stacking energy: -55.077
Base-Backbone interact. energy: 0.614
local terms energy: -61.758397
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -15.038
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -134.403979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.403979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.403979 (E_RNA)
where:
Base-Base interactions energy: -87.097
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.455
local terms energy: -46.852418
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -3.546
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: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -88.620281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.620281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.620281 (E_RNA)
where:
Base-Base interactions energy: -45.697
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.096
local terms energy: -42.826836
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -3.010
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.233
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -76.429684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.429684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.429684 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.737
local terms energy: -48.044854
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -80.972793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972793 (E_RNA)
where:
Base-Base interactions energy: -38.268
where: short stacking energy: -21.556
Base-Backbone interact. energy: -0.343
local terms energy: -42.362281
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -229.065088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.065088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.065088 (E_RNA)
where:
Base-Base interactions energy: -152.261
where: short stacking energy: -78.224
Base-Backbone interact. energy: -1.111
local terms energy: -75.692931
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -231.391188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391188 (E_RNA)
where:
Base-Base interactions energy: -152.641
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.454
local terms energy: -78.296969
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -212.374234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.374234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.374234 (E_RNA)
where:
Base-Base interactions energy: -139.362
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.023
local terms energy: -72.989580
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -13.199
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: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -216.247563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.247563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.247563 (E_RNA)
where:
Base-Base interactions energy: -143.829
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.620
local terms energy: -71.798645
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -186.377464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377464 (E_RNA)
where:
Base-Base interactions energy: -117.323
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.059
local terms energy: -68.995684
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -191.220940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.220940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.220940 (E_RNA)
where:
Base-Base interactions energy: -127.336
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.054
local terms energy: -63.831287
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.964
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: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -137.329942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.329942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.329942 (E_RNA)
where:
Base-Base interactions energy: -77.522
where: short stacking energy: -35.027
Base-Backbone interact. energy: -0.316
local terms energy: -59.491890
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.969
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: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -108.776466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.776466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.776466 (E_RNA)
where:
Base-Base interactions energy: -60.218
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.444
local terms energy: -48.114771
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -3.891
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: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -93.842702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842702 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.120
local terms energy: -54.882597
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -75.959785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.959785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.959785 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -32.537
Base-Backbone interact. energy: -0.041
local terms energy: -43.381469
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -3.390
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: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -237.559061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.559061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.559061 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.279
local terms energy: -85.676239
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -216.243863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.243863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.243863 (E_RNA)
where:
Base-Base interactions energy: -145.047
where: short stacking energy: -73.570
Base-Backbone interact. energy: -1.632
local terms energy: -69.564606
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -228.127850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.127850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.127850 (E_RNA)
where:
Base-Base interactions energy: -148.566
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.218
local terms energy: -79.344217
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.878
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: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -206.863958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863958 (E_RNA)
where:
Base-Base interactions energy: -130.407
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.295
local terms energy: -76.161485
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -18.296
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -182.964467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.964467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964467 (E_RNA)
where:
Base-Base interactions energy: -111.240
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.020
local terms energy: -71.704172
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -144.918423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.918423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.918423 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -36.049
Base-Backbone interact. energy: 1.957
local terms energy: -55.310940
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.125
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: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -197.176942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.176942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.176942 (E_RNA)
where:
Base-Base interactions energy: -125.219
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.563
local terms energy: -71.394490
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -84.435408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.435408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.435408 (E_RNA)
where:
Base-Base interactions energy: -25.379
where: short stacking energy: -24.474
Base-Backbone interact. energy: -0.057
local terms energy: -58.999572
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -79.337083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.337083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.337083 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -18.010
Base-Backbone interact. energy: -0.246
local terms energy: -52.054943
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -0.592
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -82.155225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.155225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.155225 (E_RNA)
where:
Base-Base interactions energy: -39.040
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.073
local terms energy: -43.042005
where:
bonds (distance) C4'-P energy: -7.525
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -232.668614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.668614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.668614 (E_RNA)
where:
Base-Base interactions energy: -152.876
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.003
local terms energy: -79.789647
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -219.441695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.441695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.441695 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -66.942
Base-Backbone interact. energy: -0.302
local terms energy: -73.940437
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -222.109593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.109593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.109593 (E_RNA)
where:
Base-Base interactions energy: -149.067
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.129
local terms energy: -72.913241
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -21.221
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: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -216.865278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.865278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.865278 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -63.976
Base-Backbone interact. energy: -0.002
local terms energy: -78.094665
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -185.681413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.681413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.681413 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -60.804
Base-Backbone interact. energy: 0.882
local terms energy: -69.508606
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -119.121353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.121353 (E_RNA)
where:
Base-Base interactions energy: -56.178
where: short stacking energy: -43.345
Base-Backbone interact. energy: -1.267
local terms energy: -61.676457
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -185.053206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.053206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.053206 (E_RNA)
where:
Base-Base interactions energy: -126.079
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.143
local terms energy: -58.830733
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -98.771048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.771048 (E_RNA)
where:
Base-Base interactions energy: -52.995
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.444
local terms energy: -45.332487
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -82.703138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.703138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.703138 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.097
local terms energy: -55.910078
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -84.670731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.670731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.670731 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.224
local terms energy: -51.613510
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -1.666
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -232.772623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.772623 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.000
local terms energy: -81.859198
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -228.896504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.896504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.896504 (E_RNA)
where:
Base-Base interactions energy: -149.671
where: short stacking energy: -75.125
Base-Backbone interact. energy: -0.828
local terms energy: -78.396973
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -23.193
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: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -220.478392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.478392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478392 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.062
local terms energy: -77.604867
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -193.210477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.210477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.210477 (E_RNA)
where:
Base-Base interactions energy: -128.445
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.046
local terms energy: -64.719179
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -209.677391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.677391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.677391 (E_RNA)
where:
Base-Base interactions energy: -138.325
where: short stacking energy: -63.491
Base-Backbone interact. energy: -0.011
local terms energy: -71.340640
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -176.038625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.038625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.038625 (E_RNA)
where:
Base-Base interactions energy: -113.183
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.111
local terms energy: -62.744866
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -98.573938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.573938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.573938 (E_RNA)
where:
Base-Base interactions energy: -41.944
where: short stacking energy: -34.710
Base-Backbone interact. energy: -0.848
local terms energy: -55.781944
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -87.002650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.002650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.002650 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -24.521
Base-Backbone interact. energy: -0.266
local terms energy: -50.677431
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -88.184520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.184520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.184520 (E_RNA)
where:
Base-Base interactions energy: -30.354
where: short stacking energy: -24.139
Base-Backbone interact. energy: -0.202
local terms energy: -57.628688
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.688
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: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -97.154283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.154283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.154283 (E_RNA)
where:
Base-Base interactions energy: -42.063
where: short stacking energy: -40.231
Base-Backbone interact. energy: -0.318
local terms energy: -54.773287
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -235.176138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.176138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.176138 (E_RNA)
where:
Base-Base interactions energy: -154.090
where: short stacking energy: -72.527
Base-Backbone interact. energy: -0.514
local terms energy: -80.571964
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -226.854059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.854059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.854059 (E_RNA)
where:
Base-Base interactions energy: -157.124
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.002
local terms energy: -69.728661
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -221.507458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.507458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.507458 (E_RNA)
where:
Base-Base interactions energy: -152.644
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.026
local terms energy: -68.838128
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -185.699298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.699298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.699298 (E_RNA)
where:
Base-Base interactions energy: -119.479
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.024
local terms energy: -66.196102
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.139
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: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -201.462303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.462303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462303 (E_RNA)
where:
Base-Base interactions energy: -128.140
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.004
local terms energy: -73.318597
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -168.470644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.470644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.470644 (E_RNA)
where:
Base-Base interactions energy: -100.745
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.606
local terms energy: -67.119682
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -13.726
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: 402
Temperature: 1.200000
Total energy: -96.367150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367150 (E_RNA)
where:
Base-Base interactions energy: -50.657
where: short stacking energy: -21.500
Base-Backbone interact. energy: -0.283
local terms energy: -45.427257
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -96.705162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705162 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -39.465
Base-Backbone interact. energy: 0.619
local terms energy: -55.715378
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -82.199280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.199280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.199280 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -23.107
Base-Backbone interact. energy: 0.094
local terms energy: -47.734318
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -2.850
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: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -91.188625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188625 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -22.869
Base-Backbone interact. energy: -0.241
local terms energy: -54.003220
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -226.864815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.864815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.864815 (E_RNA)
where:
Base-Base interactions energy: -149.021
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.100
local terms energy: -77.744258
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -229.677563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.677563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.677563 (E_RNA)
where:
Base-Base interactions energy: -148.163
where: short stacking energy: -71.041
Base-Backbone interact. energy: -0.016
local terms energy: -81.498866
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -221.082118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082118 (E_RNA)
where:
Base-Base interactions energy: -147.162
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.156
local terms energy: -73.763824
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -210.882314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882314 (E_RNA)
where:
Base-Base interactions energy: -143.659
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.000
local terms energy: -67.223295
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -181.361427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.361427 (E_RNA)
where:
Base-Base interactions energy: -114.009
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.168
local terms energy: -67.185036
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -129.865795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.865795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.865795 (E_RNA)
where:
Base-Base interactions energy: -81.758
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.089
local terms energy: -48.019148
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -3.074
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: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -84.390625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390625 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -27.249
Base-Backbone interact. energy: 1.023
local terms energy: -52.732664
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -86.055157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.055157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.055157 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -34.307
Base-Backbone interact. energy: -0.146
local terms energy: -48.508730
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -83.658285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.658285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.658285 (E_RNA)
where:
Base-Base interactions energy: -32.183
where: short stacking energy: -30.369
Base-Backbone interact. energy: -0.406
local terms energy: -51.068910
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -94.055471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.055471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.055471 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.004
local terms energy: -59.649264
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -11.138
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: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -232.508661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.508661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.508661 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.042
local terms energy: -80.638200
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -227.254251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.254251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.254251 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.701
local terms energy: -75.970914
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -23.087
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: 404
Temperature: 1.000000
Total energy: -219.186583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186583 (E_RNA)
where:
Base-Base interactions energy: -140.980
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.315
local terms energy: -77.891469
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -206.290906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290906 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.004
local terms energy: -67.512296
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -3.688
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: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -187.904777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.904777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.904777 (E_RNA)
where:
Base-Base interactions energy: -122.659
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.684
local terms energy: -64.561856
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.239
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: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -87.828980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828980 (E_RNA)
where:
Base-Base interactions energy: -31.126
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.132
local terms energy: -56.570624
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -3.690
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: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -104.462473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.462473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.462473 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.220
local terms energy: -54.213675
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -13.023
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: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -93.116323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116323 (E_RNA)
where:
Base-Base interactions energy: -27.926
where: short stacking energy: -27.926
Base-Backbone interact. energy: -0.002
local terms energy: -65.187871
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -89.798503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.798503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.798503 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -35.326
Base-Backbone interact. energy: -0.013
local terms energy: -54.460344
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -80.835837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.835837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.835837 (E_RNA)
where:
Base-Base interactions energy: -33.084
where: short stacking energy: -33.084
Base-Backbone interact. energy: 1.793
local terms energy: -49.544500
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -4.080
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: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -232.658382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.658382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.658382 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.882
local terms energy: -83.100033
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -21.008
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: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -224.581593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.581593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.581593 (E_RNA)
where:
Base-Base interactions energy: -152.094
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.096
local terms energy: -72.391138
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -22.470
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: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -223.800212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800212 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.008
local terms energy: -77.889689
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -215.159472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.159472 (E_RNA)
where:
Base-Base interactions energy: -145.898
where: short stacking energy: -73.487
Base-Backbone interact. energy: -0.006
local terms energy: -69.255748
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.666
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -176.340930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.340930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.340930 (E_RNA)
where:
Base-Base interactions energy: -116.149
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.020
local terms energy: -60.171724
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -99.726432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.726432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.726432 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.213
local terms energy: -59.661285
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -13.603
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: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -97.524146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.524146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.524146 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -35.535
Base-Backbone interact. energy: -0.119
local terms energy: -54.624314
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -6.584
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: 405
Temperature: 1.250000
Total energy: -83.842937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.842937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.842937 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -31.993
Base-Backbone interact. energy: -0.476
local terms energy: -42.617466
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -81.619994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619994 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.224
local terms energy: -41.457343
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: 0.961
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: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -75.884251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.884251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.884251 (E_RNA)
where:
Base-Base interactions energy: -30.869
where: short stacking energy: -30.388
Base-Backbone interact. energy: 1.474
local terms energy: -46.488731
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -228.763653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.763653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.763653 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -73.633
Base-Backbone interact. energy: -0.242
local terms energy: -78.205909
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -20.723
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: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -229.365681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.365681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365681 (E_RNA)
where:
Base-Base interactions energy: -151.164
where: short stacking energy: -72.615
Base-Backbone interact. energy: -0.000
local terms energy: -78.201288
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -22.510
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: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -219.658738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.658738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.658738 (E_RNA)
where:
Base-Base interactions energy: -148.514
where: short stacking energy: -72.227
Base-Backbone interact. energy: 0.763
local terms energy: -71.908395
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -13.691
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: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -194.985582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.985582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.985582 (E_RNA)
where:
Base-Base interactions energy: -131.681
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.177
local terms energy: -63.127491
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -13.550
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -105.932295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.932295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.932295 (E_RNA)
where:
Base-Base interactions energy: -49.679
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.121
local terms energy: -56.132687
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -2.581
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -173.093818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.093818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.093818 (E_RNA)
where:
Base-Base interactions energy: -115.014
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.288
local terms energy: -57.791459
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -87.921086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921086 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.088
local terms energy: -56.253029
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.345
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: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -74.921646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.921646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.921646 (E_RNA)
where:
Base-Base interactions energy: -27.659
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.075
local terms energy: -47.188146
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -10.556
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: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -81.268903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.268903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.268903 (E_RNA)
where:
Base-Base interactions energy: -24.861
where: short stacking energy: -24.861
Base-Backbone interact. energy: -0.160
local terms energy: -56.248265
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -73.290364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.290364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.290364 (E_RNA)
where:
Base-Base interactions energy: -18.452
where: short stacking energy: -18.236
Base-Backbone interact. energy: -0.086
local terms energy: -54.752305
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: 4.381
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: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -228.167709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.167709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.167709 (E_RNA)
where:
Base-Base interactions energy: -152.898
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.260
local terms energy: -75.010425
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.604
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: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -229.742571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.742571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.742571 (E_RNA)
where:
Base-Base interactions energy: -148.536
where: short stacking energy: -70.966
Base-Backbone interact. energy: -0.005
local terms energy: -81.201749
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -12.222
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: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -224.945683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.945683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.945683 (E_RNA)
where:
Base-Base interactions energy: -150.143
where: short stacking energy: -71.957
Base-Backbone interact. energy: 1.264
local terms energy: -76.066518
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -214.034801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.034801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034801 (E_RNA)
where:
Base-Base interactions energy: -146.848
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.484
local terms energy: -66.702307
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -102.062851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.062851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.062851 (E_RNA)
where:
Base-Base interactions energy: -53.899
where: short stacking energy: -29.473
Base-Backbone interact. energy: -0.101
local terms energy: -48.062953
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -169.916627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.916627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.916627 (E_RNA)
where:
Base-Base interactions energy: -109.169
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.100
local terms energy: -60.648470
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -89.534010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534010 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -37.281
Base-Backbone interact. energy: -0.005
local terms energy: -50.592870
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.867
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: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -89.959827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959827 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.073
local terms energy: -56.618847
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.522
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -82.175767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.175767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.175767 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -26.816
Base-Backbone interact. energy: 0.049
local terms energy: -54.325584
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -6.588
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -95.072419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.072419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.072419 (E_RNA)
where:
Base-Base interactions energy: -47.449
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.214
local terms energy: -47.409177
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -3.615
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: 408
Temperature: 0.900000
Total energy: -226.802859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.802859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.802859 (E_RNA)
where:
Base-Base interactions energy: -153.917
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.007
local terms energy: -72.878347
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -21.110
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: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -230.178031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178031 (E_RNA)
where:
Base-Base interactions energy: -156.278
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.004
local terms energy: -73.895684
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -227.196610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.196610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.196610 (E_RNA)
where:
Base-Base interactions energy: -151.887
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.006
local terms energy: -75.303918
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -215.563388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.563388 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.054
local terms energy: -70.279237
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -179.630227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.630227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.630227 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.356
local terms energy: -60.913248
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -98.601720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601720 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -32.394
Base-Backbone interact. energy: -0.067
local terms energy: -55.446323
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -4.681
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: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -87.546634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.546634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.546634 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -16.812
Base-Backbone interact. energy: 0.918
local terms energy: -46.477858
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: 1.126
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: 408
Temperature: 1.250000
Total energy: -83.098843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.098843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.098843 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.893
local terms energy: -47.847912
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.825116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825116 (E_RNA)
where:
Base-Base interactions energy: -24.944
where: short stacking energy: -21.886
Base-Backbone interact. energy: -0.004
local terms energy: -53.877622
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -70.614429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.614429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.614429 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.121
local terms energy: -53.711793
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -229.667735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.667735 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.481
local terms energy: -81.970025
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -21.432
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: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -224.424054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424054 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.002
local terms energy: -70.184617
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -225.988040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.988040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.988040 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -75.376
Base-Backbone interact. energy: -0.002
local terms energy: -73.983287
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -222.791995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.791995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.791995 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.525
local terms energy: -76.029745
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -187.586186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.586186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.586186 (E_RNA)
where:
Base-Base interactions energy: -114.322
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.465
local terms energy: -72.798371
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.682
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -110.387933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.387933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.387933 (E_RNA)
where:
Base-Base interactions energy: -62.407
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.805
local terms energy: -47.175839
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: 1.233
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: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -90.189872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189872 (E_RNA)
where:
Base-Base interactions energy: -47.322
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.893
local terms energy: -41.974917
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -6.989
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: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -95.657397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657397 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -36.784
Base-Backbone interact. energy: -0.160
local terms energy: -47.070044
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -74.446218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.446218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.446218 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -24.453
Base-Backbone interact. energy: -0.111
local terms energy: -44.685355
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -84.911353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.911353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.911353 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.050
local terms energy: -48.038063
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -232.483004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.483004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.483004 (E_RNA)
where:
Base-Base interactions energy: -161.479
where: short stacking energy: -76.798
Base-Backbone interact. energy: -0.089
local terms energy: -70.914437
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -224.410454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.410454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.410454 (E_RNA)
where:
Base-Base interactions energy: -152.665
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.735
local terms energy: -71.010894
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.436
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: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -219.348999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.348999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.348999 (E_RNA)
where:
Base-Base interactions energy: -146.995
where: short stacking energy: -71.263
Base-Backbone interact. energy: -0.000
local terms energy: -72.353794
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -220.508981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.508981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.508981 (E_RNA)
where:
Base-Base interactions energy: -144.905
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.027
local terms energy: -75.576482
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -190.279255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.279255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.279255 (E_RNA)
where:
Base-Base interactions energy: -120.965
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.041
local terms energy: -69.273578
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -96.490740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.490740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.490740 (E_RNA)
where:
Base-Base interactions energy: -40.888
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.039
local terms energy: -55.563609
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -97.446273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.446273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.446273 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -29.771
Base-Backbone interact. energy: 0.358
local terms energy: -59.304984
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.718
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -78.434669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434669 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -22.763
Base-Backbone interact. energy: -0.253
local terms energy: -53.018567
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: 3.692
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: 410
Temperature: 1.300000
Total energy: -80.195187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.195187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.195187 (E_RNA)
where:
Base-Base interactions energy: -25.827
where: short stacking energy: -25.619
Base-Backbone interact. energy: -0.060
local terms energy: -54.308311
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -71.760710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.760710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.760710 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.038
local terms energy: -44.980642
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -236.419798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.419798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.419798 (E_RNA)
where:
Base-Base interactions energy: -161.193
where: short stacking energy: -84.843
Base-Backbone interact. energy: -0.070
local terms energy: -75.156627
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -20.654
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: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -228.040995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.040995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.040995 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.212
local terms energy: -76.115214
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -218.009879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.009879 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.124
local terms energy: -71.110040
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -190.803066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.803066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.803066 (E_RNA)
where:
Base-Base interactions energy: -123.994
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.843
local terms energy: -65.965951
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -212.959967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.959967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.959967 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.092
local terms energy: -66.525005
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -102.076954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.076954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.076954 (E_RNA)
where:
Base-Base interactions energy: -45.934
where: short stacking energy: -31.946
Base-Backbone interact. energy: -0.410
local terms energy: -55.733223
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -93.491387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.491387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.491387 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.327
local terms energy: -47.576501
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -3.229
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -7.882
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: 411
Temperature: 1.250000
Total energy: -84.539540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.539540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.539540 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -22.950
Base-Backbone interact. energy: -0.285
local terms energy: -56.599316
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -92.405962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.405962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.405962 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.535
local terms energy: -56.476385
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -76.570486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570486 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -14.009
Base-Backbone interact. energy: -0.054
local terms energy: -40.748698
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -1.524
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -231.238402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.238402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.238402 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.002
local terms energy: -78.525716
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -22.446
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: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -232.685489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.685489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.685489 (E_RNA)
where:
Base-Base interactions energy: -155.484
where: short stacking energy: -78.587
Base-Backbone interact. energy: -0.003
local terms energy: -77.199278
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -218.101417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.101417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.101417 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -66.673
Base-Backbone interact. energy: -0.082
local terms energy: -75.598246
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -182.434197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.434197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.434197 (E_RNA)
where:
Base-Base interactions energy: -125.579
where: short stacking energy: -54.201
Base-Backbone interact. energy: -0.026
local terms energy: -56.828381
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -12.632
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: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -202.537615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.537615 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.011
local terms energy: -72.328645
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -111.701650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.701650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.701650 (E_RNA)
where:
Base-Base interactions energy: -63.387
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.080
local terms energy: -48.234458
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -1.284
tors. eta vs tors. theta energy: -9.352
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: 412
Temperature: 1.200000
Total energy: -101.239066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239066 (E_RNA)
where:
Base-Base interactions energy: -49.066
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.053
local terms energy: -52.120449
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.574
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: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -81.231477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231477 (E_RNA)
where:
Base-Base interactions energy: -27.848
where: short stacking energy: -27.848
Base-Backbone interact. energy: -0.014
local terms energy: -53.369297
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -92.358571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358571 (E_RNA)
where:
Base-Base interactions energy: -50.551
where: short stacking energy: -24.741
Base-Backbone interact. energy: 1.512
local terms energy: -43.319792
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -76.453996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.453996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.453996 (E_RNA)
where:
Base-Base interactions energy: -29.936
where: short stacking energy: -29.936
Base-Backbone interact. energy: -0.095
local terms energy: -46.423128
where:
bonds (distance) C4'-P energy: -4.689
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -227.139774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.139774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.139774 (E_RNA)
where:
Base-Base interactions energy: -152.219
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.059
local terms energy: -74.861136
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -214.164590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.164590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.164590 (E_RNA)
where:
Base-Base interactions energy: -141.585
where: short stacking energy: -73.267
Base-Backbone interact. energy: -1.578
local terms energy: -71.001683
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -22.732
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: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -222.413614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.413614 (E_RNA)
where:
Base-Base interactions energy: -145.730
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.000
local terms energy: -76.683619
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -207.950445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.950445 (E_RNA)
where:
Base-Base interactions energy: -137.822
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.454
local terms energy: -69.674701
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -186.724854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.724854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.724854 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.012
local terms energy: -59.564262
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -139.055211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.055211 (E_RNA)
where:
Base-Base interactions energy: -76.323
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.337
local terms energy: -62.394801
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -96.870935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.870935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.870935 (E_RNA)
where:
Base-Base interactions energy: -38.184
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.085
local terms energy: -58.601690
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -7.890
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: 413
Temperature: 1.250000
Total energy: -96.891602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.891602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.891602 (E_RNA)
where:
Base-Base interactions energy: -57.046
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.059
local terms energy: -39.786541
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -82.035592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035592 (E_RNA)
where:
Base-Base interactions energy: -28.597
where: short stacking energy: -25.289
Base-Backbone interact. energy: -1.012
local terms energy: -52.427064
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -3.285
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: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -74.898625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.898625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.898625 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -23.569
Base-Backbone interact. energy: -0.134
local terms energy: -41.039080
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -228.472616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.472616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.472616 (E_RNA)
where:
Base-Base interactions energy: -149.670
where: short stacking energy: -69.130
Base-Backbone interact. energy: -0.037
local terms energy: -78.765190
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -218.200191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.200191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.200191 (E_RNA)
where:
Base-Base interactions energy: -132.262
where: short stacking energy: -71.232
Base-Backbone interact. energy: -1.582
local terms energy: -84.355610
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -214.856052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.856052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.856052 (E_RNA)
where:
Base-Base interactions energy: -134.402
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.001
local terms energy: -80.452432
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -212.912894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.912894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.912894 (E_RNA)
where:
Base-Base interactions energy: -141.069
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.910
local terms energy: -70.934109
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -21.831
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: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -189.276570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.276570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.276570 (E_RNA)
where:
Base-Base interactions energy: -123.818
where: short stacking energy: -45.415
Base-Backbone interact. energy: 0.123
local terms energy: -65.582195
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.810
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: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -163.509501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.509501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.509501 (E_RNA)
where:
Base-Base interactions energy: -99.166
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.070
local terms energy: -64.273937
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -10.964
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: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -86.920063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920063 (E_RNA)
where:
Base-Base interactions energy: -38.272
where: short stacking energy: -38.272
Base-Backbone interact. energy: 2.200
local terms energy: -50.847885
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -81.478359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.478359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.478359 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.218
local terms energy: -39.737011
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -87.265255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265255 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.232
local terms energy: -48.964962
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -4.511
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: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.395461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.395461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.395461 (E_RNA)
where:
Base-Base interactions energy: -30.728
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.071
local terms energy: -45.597191
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -2.464
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: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -227.798260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.798260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.798260 (E_RNA)
where:
Base-Base interactions energy: -152.285
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.001
local terms energy: -75.512754
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -217.517516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.517516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.517516 (E_RNA)
where:
Base-Base interactions energy: -138.840
where: short stacking energy: -71.382
Base-Backbone interact. energy: -0.329
local terms energy: -78.348964
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -227.462939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.462939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.462939 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -74.510
Base-Backbone interact. energy: 0.930
local terms energy: -72.891933
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -20.986
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: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -210.979184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979184 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -66.347
Base-Backbone interact. energy: -0.043
local terms energy: -77.985800
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -184.691049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.691049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.691049 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.045
local terms energy: -61.573978
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -11.132
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -182.564548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564548 (E_RNA)
where:
Base-Base interactions energy: -110.996
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.189
local terms energy: -71.379307
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -92.102168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102168 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.581
local terms energy: -53.798800
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -92.585268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.585268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.585268 (E_RNA)
where:
Base-Base interactions energy: -34.904
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.171
local terms energy: -57.510323
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -81.466146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.466146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.466146 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.317
local terms energy: -46.255068
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -87.278423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278423 (E_RNA)
where:
Base-Base interactions energy: -41.120
where: short stacking energy: -41.120
Base-Backbone interact. energy: -0.003
local terms energy: -46.155326
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -228.109901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.109901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.109901 (E_RNA)
where:
Base-Base interactions energy: -154.514
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.765
local terms energy: -72.830923
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.690436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.690436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.690436 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.021
local terms energy: -81.647228
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -225.806321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.806321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.806321 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -74.290
Base-Backbone interact. energy: -0.122
local terms energy: -76.795487
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -210.718328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718328 (E_RNA)
where:
Base-Base interactions energy: -133.394
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.468
local terms energy: -76.856706
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -184.799121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799121 (E_RNA)
where:
Base-Base interactions energy: -128.190
where: short stacking energy: -60.385
Base-Backbone interact. energy: -0.136
local terms energy: -56.473191
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -176.283839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.283839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.283839 (E_RNA)
where:
Base-Base interactions energy: -107.360
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.075
local terms energy: -68.849061
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -87.131845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131845 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -25.389
Base-Backbone interact. energy: -0.563
local terms energy: -48.721420
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -88.340897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.340897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.340897 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.122
local terms energy: -50.461917
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -2.297
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -84.317759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317759 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.002
local terms energy: -47.130852
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -76.077761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.077761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.077761 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.604
local terms energy: -46.559202
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -8.915
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -234.366897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.366897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.366897 (E_RNA)
where:
Base-Base interactions energy: -154.850
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.051
local terms energy: -79.465453
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -226.918493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.918493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.918493 (E_RNA)
where:
Base-Base interactions energy: -151.878
where: short stacking energy: -76.128
Base-Backbone interact. energy: -0.299
local terms energy: -74.741546
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -21.532
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: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -221.564236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.564236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.564236 (E_RNA)
where:
Base-Base interactions energy: -151.099
where: short stacking energy: -72.121
Base-Backbone interact. energy: 1.217
local terms energy: -71.682338
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -18.799
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: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -219.501975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501975 (E_RNA)
where:
Base-Base interactions energy: -148.492
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.238
local terms energy: -70.771501
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -184.863145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.863145 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -52.452
Base-Backbone interact. energy: -0.096
local terms energy: -63.525998
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -182.686668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.686668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.686668 (E_RNA)
where:
Base-Base interactions energy: -114.030
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.121
local terms energy: -68.536129
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.074737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.074737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.074737 (E_RNA)
where:
Base-Base interactions energy: -51.662
where: short stacking energy: -30.577
Base-Backbone interact. energy: -0.171
local terms energy: -43.242087
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: 2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -99.567824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567824 (E_RNA)
where:
Base-Base interactions energy: -44.586
where: short stacking energy: -32.415
Base-Backbone interact. energy: -0.654
local terms energy: -54.327490
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -83.803597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803597 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -21.633
Base-Backbone interact. energy: 0.121
local terms energy: -46.007865
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -4.675
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: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -72.290328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.290328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.290328 (E_RNA)
where:
Base-Base interactions energy: -30.849
where: short stacking energy: -16.147
Base-Backbone interact. energy: -0.171
local terms energy: -41.270044
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -6.996
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: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -232.296774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.296774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.296774 (E_RNA)
where:
Base-Base interactions energy: -154.892
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.241
local terms energy: -77.163514
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -235.293680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.293680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.293680 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -78.836
Base-Backbone interact. energy: -0.002
local terms energy: -82.882747
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -209.741717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.741717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.741717 (E_RNA)
where:
Base-Base interactions energy: -141.650
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.020
local terms energy: -68.072664
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -223.887460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.887460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887460 (E_RNA)
where:
Base-Base interactions energy: -147.103
where: short stacking energy: -70.750
Base-Backbone interact. energy: -0.000
local terms energy: -76.784441
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -22.971
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -185.881273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.881273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.881273 (E_RNA)
where:
Base-Base interactions energy: -116.312
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.020
local terms energy: -69.549242
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -170.911860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.911860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.911860 (E_RNA)
where:
Base-Base interactions energy: -118.487
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.093
local terms energy: -52.331987
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.168
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: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -93.268852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268852 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.164
local terms energy: -56.900877
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -5.250
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -83.786435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.786435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.786435 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -20.728
Base-Backbone interact. energy: -0.220
local terms energy: -47.965248
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -79.205121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.205121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.205121 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.112
local terms energy: -44.372034
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: 1.881
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: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -75.058691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.058691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.058691 (E_RNA)
where:
Base-Base interactions energy: -25.274
where: short stacking energy: -22.532
Base-Backbone interact. energy: 1.566
local terms energy: -51.350732
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -3.607
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: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -229.439199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.439199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.439199 (E_RNA)
where:
Base-Base interactions energy: -149.305
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.159
local terms energy: -79.974521
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -227.144572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.144572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.144572 (E_RNA)
where:
Base-Base interactions energy: -143.374
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.293
local terms energy: -83.478152
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -19.963
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: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -207.295419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295419 (E_RNA)
where:
Base-Base interactions energy: -132.270
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.191
local terms energy: -74.834227
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -214.734797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.734797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.734797 (E_RNA)
where:
Base-Base interactions energy: -140.578
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.098
local terms energy: -74.058826
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -186.929819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.929819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.929819 (E_RNA)
where:
Base-Base interactions energy: -121.359
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.001
local terms energy: -65.569867
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -171.523009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.523009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.523009 (E_RNA)
where:
Base-Base interactions energy: -117.074
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.051
local terms energy: -54.398224
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -94.231858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231858 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.015
local terms energy: -59.739077
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.062
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: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -89.731687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731687 (E_RNA)
where:
Base-Base interactions energy: -32.147
where: short stacking energy: -32.147
Base-Backbone interact. energy: -0.089
local terms energy: -57.495843
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -8.222
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: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -112.434247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.434247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.434247 (E_RNA)
where:
Base-Base interactions energy: -52.686
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.583
local terms energy: -59.165224
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -88.413666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.413666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.413666 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.006
local terms energy: -52.669990
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -224.356000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.356000 (E_RNA)
where:
Base-Base interactions energy: -150.320
where: short stacking energy: -71.888
Base-Backbone interact. energy: -0.736
local terms energy: -73.300645
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -222.677199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.677199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.677199 (E_RNA)
where:
Base-Base interactions energy: -145.643
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.027
local terms energy: -77.006871
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -223.069943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.069943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069943 (E_RNA)
where:
Base-Base interactions energy: -142.810
where: short stacking energy: -78.547
Base-Backbone interact. energy: -0.002
local terms energy: -80.258704
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -227.659127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659127 (E_RNA)
where:
Base-Base interactions energy: -155.699
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.024
local terms energy: -71.935555
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -193.932846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.932846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.932846 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -60.893
Base-Backbone interact. energy: -0.013
local terms energy: -72.921454
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -13.703
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -176.508048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.508048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.508048 (E_RNA)
where:
Base-Base interactions energy: -119.569
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.073
local terms energy: -56.866145
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -100.242779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.242779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.242779 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -34.561
Base-Backbone interact. energy: -1.403
local terms energy: -58.420609
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -5.447
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: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -97.400926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400926 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -37.670
Base-Backbone interact. energy: -0.049
local terms energy: -55.578222
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -81.354676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354676 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.194
local terms energy: -51.447500
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -5.924
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: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -77.365281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.365281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.365281 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -26.676
Base-Backbone interact. energy: 0.570
local terms energy: -49.409575
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -225.242955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.242955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.242955 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.874
local terms energy: -83.166249
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -21.276
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: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -222.869710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869710 (E_RNA)
where:
Base-Base interactions energy: -146.918
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.001
local terms energy: -75.950844
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -20.337
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: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -219.029658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029658 (E_RNA)
where:
Base-Base interactions energy: -145.386
where: short stacking energy: -68.948
Base-Backbone interact. energy: -0.088
local terms energy: -73.556387
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -212.465000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465000 (E_RNA)
where:
Base-Base interactions energy: -141.399
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.044
local terms energy: -71.022099
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -184.616910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.616910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.616910 (E_RNA)
where:
Base-Base interactions energy: -109.193
where: short stacking energy: -60.834
Base-Backbone interact. energy: -1.019
local terms energy: -74.404828
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -102.779823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.779823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.779823 (E_RNA)
where:
Base-Base interactions energy: -42.044
where: short stacking energy: -39.119
Base-Backbone interact. energy: 1.028
local terms energy: -61.763263
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -174.027934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.027934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.027934 (E_RNA)
where:
Base-Base interactions energy: -117.463
where: short stacking energy: -57.050
Base-Backbone interact. energy: -0.031
local terms energy: -56.533979
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -96.420265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.420265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.420265 (E_RNA)
where:
Base-Base interactions energy: -46.390
where: short stacking energy: -26.672
Base-Backbone interact. energy: -0.198
local terms energy: -49.832097
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -91.100808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.100808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.100808 (E_RNA)
where:
Base-Base interactions energy: -39.504
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.726
local terms energy: -50.870430
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -79.288276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.288276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.288276 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.477
local terms energy: -47.798062
where:
bonds (distance) C4'-P energy: -6.530
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -225.721078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.721078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.721078 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.039
local terms energy: -83.821541
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -222.336101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.336101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.336101 (E_RNA)
where:
Base-Base interactions energy: -139.449
where: short stacking energy: -74.585
Base-Backbone interact. energy: -0.002
local terms energy: -82.885085
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -216.416963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.416963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.416963 (E_RNA)
where:
Base-Base interactions energy: -148.003
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.053
local terms energy: -68.360903
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -222.959762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959762 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.358
local terms energy: -80.360091
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -182.600110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600110 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -35.490
Base-Backbone interact. energy: 0.489
local terms energy: -59.880876
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -106.087526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.087526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.087526 (E_RNA)
where:
Base-Base interactions energy: -51.728
where: short stacking energy: -36.960
Base-Backbone interact. energy: -0.100
local terms energy: -54.259795
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -3.884
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: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -168.701808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.701808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.701808 (E_RNA)
where:
Base-Base interactions energy: -105.593
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.049
local terms energy: -63.059769
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -86.866164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866164 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.200
local terms energy: -48.832197
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -89.508676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.508676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.508676 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.159
local terms energy: -55.629864
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -82.455530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.455530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.455530 (E_RNA)
where:
Base-Base interactions energy: -34.619
where: short stacking energy: -28.788
Base-Backbone interact. energy: 0.281
local terms energy: -48.117128
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -228.850048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.850048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.850048 (E_RNA)
where:
Base-Base interactions energy: -145.235
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.015
local terms energy: -83.600547
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -221.555932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.555932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.555932 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -75.590
Base-Backbone interact. energy: -0.001
local terms energy: -81.517970
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -224.787727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.787727 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.078
local terms energy: -78.814729
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -224.874900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.874900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.874900 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -64.758
Base-Backbone interact. energy: -0.577
local terms energy: -77.295517
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -191.462521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.462521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.462521 (E_RNA)
where:
Base-Base interactions energy: -127.949
where: short stacking energy: -65.171
Base-Backbone interact. energy: -1.250
local terms energy: -62.263366
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -174.932700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932700 (E_RNA)
where:
Base-Base interactions energy: -108.630
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.181
local terms energy: -66.121940
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -94.308401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308401 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -30.923
Base-Backbone interact. energy: 0.623
local terms energy: -58.547899
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -81.427868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427868 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -19.272
Base-Backbone interact. energy: -1.885
local terms energy: -49.643280
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -8.047
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -83.485562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.485562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.485562 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.095
local terms energy: -42.820733
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -8.737
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -88.044839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044839 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.980
local terms energy: -54.612133
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -230.954584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.954584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.954584 (E_RNA)
where:
Base-Base interactions energy: -154.916
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.447
local terms energy: -75.591511
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -219.236257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.236257 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.069
local terms energy: -78.326100
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -225.044510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.044510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.044510 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.005
local terms energy: -72.516060
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -22.545
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: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -212.025607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.025607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.025607 (E_RNA)
where:
Base-Base interactions energy: -144.880
where: short stacking energy: -69.541
Base-Backbone interact. energy: -0.099
local terms energy: -67.046706
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -6.883
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -185.089840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.089840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.089840 (E_RNA)
where:
Base-Base interactions energy: -115.627
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.083
local terms energy: -69.379445
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.923
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: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -179.482550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.482550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.482550 (E_RNA)
where:
Base-Base interactions energy: -119.258
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.483
local terms energy: -59.741308
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -5.277
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: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -78.460959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.460959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.460959 (E_RNA)
where:
Base-Base interactions energy: -39.198
where: short stacking energy: -13.531
Base-Backbone interact. energy: 1.740
local terms energy: -41.003535
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -89.250206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.250206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.250206 (E_RNA)
where:
Base-Base interactions energy: -36.502
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.221
local terms energy: -52.526732
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -81.612319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.612319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.612319 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.433
local terms energy: -44.849042
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -3.216
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: 424
Temperature: 1.350000
Total energy: -87.632226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.632226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.632226 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.027
local terms energy: -54.542598
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -224.425159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.425159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.425159 (E_RNA)
where:
Base-Base interactions energy: -148.328
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.000
local terms energy: -76.097300
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -232.948269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.948269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.948269 (E_RNA)
where:
Base-Base interactions energy: -150.405
where: short stacking energy: -78.177
Base-Backbone interact. energy: -0.008
local terms energy: -82.535601
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -217.990952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990952 (E_RNA)
where:
Base-Base interactions energy: -140.937
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.001
local terms energy: -77.053246
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -177.680964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.680964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.680964 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -43.119
Base-Backbone interact. energy: -0.214
local terms energy: -64.299718
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -208.514252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.514252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.514252 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.075
local terms energy: -68.249909
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -193.502160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.502160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.502160 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.414
local terms energy: -67.326617
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -96.725641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.725641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.725641 (E_RNA)
where:
Base-Base interactions energy: -44.301
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.154
local terms energy: -52.270711
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -95.500227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.500227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.500227 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -38.122
Base-Backbone interact. energy: -1.821
local terms energy: -52.457403
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -81.437862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.437862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.437862 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.199
local terms energy: -46.190063
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -8.938
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: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -77.611181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.611181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.611181 (E_RNA)
where:
Base-Base interactions energy: -36.111
where: short stacking energy: -27.792
Base-Backbone interact. energy: 0.024
local terms energy: -41.524379
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -229.618430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.618430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.618430 (E_RNA)
where:
Base-Base interactions energy: -158.260
where: short stacking energy: -71.246
Base-Backbone interact. energy: 2.185
local terms energy: -73.543847
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -17.977
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: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -219.319723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.319723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.319723 (E_RNA)
where:
Base-Base interactions energy: -153.611
where: short stacking energy: -62.762
Base-Backbone interact. energy: -0.152
local terms energy: -65.557121
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -230.659593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.659593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.659593 (E_RNA)
where:
Base-Base interactions energy: -153.960
where: short stacking energy: -71.158
Base-Backbone interact. energy: -0.435
local terms energy: -76.264599
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -185.635635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.635635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.635635 (E_RNA)
where:
Base-Base interactions energy: -118.187
where: short stacking energy: -47.879
Base-Backbone interact. energy: -0.490
local terms energy: -66.959011
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -197.514467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.514467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.514467 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.664
local terms energy: -58.944152
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -183.430049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430049 (E_RNA)
where:
Base-Base interactions energy: -123.353
where: short stacking energy: -63.602
Base-Backbone interact. energy: 0.982
local terms energy: -61.059568
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -98.066191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.066191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.066191 (E_RNA)
where:
Base-Base interactions energy: -49.964
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.187
local terms energy: -47.915450
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -99.041927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.041927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.041927 (E_RNA)
where:
Base-Base interactions energy: -50.137
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.042
local terms energy: -48.862714
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -9.411
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: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -81.332353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332353 (E_RNA)
where:
Base-Base interactions energy: -28.861
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.057
local terms energy: -52.413717
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -4.503
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: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -86.309252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.309252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.309252 (E_RNA)
where:
Base-Base interactions energy: -43.677
where: short stacking energy: -24.684
Base-Backbone interact. energy: -0.644
local terms energy: -41.987948
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -0.071
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: 427
Temperature: 0.900000
Total energy: -229.757468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.757468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.757468 (E_RNA)
where:
Base-Base interactions energy: -154.900
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.001
local terms energy: -74.856377
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -229.371095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.371095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371095 (E_RNA)
where:
Base-Base interactions energy: -154.041
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.006
local terms energy: -75.324244
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -218.793013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.793013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.793013 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -68.127
Base-Backbone interact. energy: -0.336
local terms energy: -79.449832
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -225.561097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.561097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.561097 (E_RNA)
where:
Base-Base interactions energy: -148.342
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.025
local terms energy: -77.194763
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -188.317651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.317651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.317651 (E_RNA)
where:
Base-Base interactions energy: -113.947
where: short stacking energy: -57.803
Base-Backbone interact. energy: -0.089
local terms energy: -74.281368
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -173.894156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.894156 (E_RNA)
where:
Base-Base interactions energy: -108.038
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.631
local terms energy: -65.225109
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -88.229243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229243 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.194
local terms energy: -47.801349
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: 1.025
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: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -96.176515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176515 (E_RNA)
where:
Base-Base interactions energy: -47.913
where: short stacking energy: -23.476
Base-Backbone interact. energy: 0.918
local terms energy: -49.182190
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: 0.257
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: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.363139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.363139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.363139 (E_RNA)
where:
Base-Base interactions energy: -35.479
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.115
local terms energy: -44.769435
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: 0.059
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: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -86.069972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069972 (E_RNA)
where:
Base-Base interactions energy: -35.722
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.154
local terms energy: -50.194086
where:
bonds (distance) C4'-P energy: -5.869
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -229.119028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.119028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.119028 (E_RNA)
where:
Base-Base interactions energy: -153.372
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.561
local terms energy: -75.185130
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -226.793092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.793092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.793092 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.002
local terms energy: -72.753589
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -11.246
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: 428
Temperature: 1.000000
Total energy: -218.329119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.329119 (E_RNA)
where:
Base-Base interactions energy: -143.962
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.025
local terms energy: -74.342502
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -19.265
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: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -209.085280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.085280 (E_RNA)
where:
Base-Base interactions energy: -136.883
where: short stacking energy: -62.436
Base-Backbone interact. energy: -1.156
local terms energy: -71.045721
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -7.197
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -182.939321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.939321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.939321 (E_RNA)
where:
Base-Base interactions energy: -111.272
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.005
local terms energy: -71.661890
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -11.025
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: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -185.612478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.612478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.612478 (E_RNA)
where:
Base-Base interactions energy: -127.444
where: short stacking energy: -54.310
Base-Backbone interact. energy: 2.232
local terms energy: -60.400450
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -102.653903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.653903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.653903 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -45.798
Base-Backbone interact. energy: -0.410
local terms energy: -56.445976
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -8.647
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -79.434794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.434794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.434794 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -19.739
Base-Backbone interact. energy: -0.357
local terms energy: -50.005131
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -84.073257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.073257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.073257 (E_RNA)
where:
Base-Base interactions energy: -24.457
where: short stacking energy: -20.008
Base-Backbone interact. energy: -0.420
local terms energy: -59.195750
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -76.929372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.929372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.929372 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.580
local terms energy: -51.167839
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -234.959167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.959167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.959167 (E_RNA)
where:
Base-Base interactions energy: -157.618
where: short stacking energy: -79.476
Base-Backbone interact. energy: -0.159
local terms energy: -77.182752
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -214.457286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.457286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.457286 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.705
local terms energy: -77.964586
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -218.621508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.621508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621508 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.139
local terms energy: -78.445349
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -208.387120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.387120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.387120 (E_RNA)
where:
Base-Base interactions energy: -139.037
where: short stacking energy: -68.309
Base-Backbone interact. energy: -0.395
local terms energy: -68.955270
where:
bonds (distance) C4'-P energy: -5.520
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -183.059973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.059973 (E_RNA)
where:
Base-Base interactions energy: -114.556
where: short stacking energy: -52.453
Base-Backbone interact. energy: 0.052
local terms energy: -68.556184
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -200.858114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.858114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.858114 (E_RNA)
where:
Base-Base interactions energy: -135.733
where: short stacking energy: -52.391
Base-Backbone interact. energy: -0.382
local terms energy: -64.743307
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -87.955738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.955738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.955738 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.108
local terms energy: -47.283232
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -1.324
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -92.843359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843359 (E_RNA)
where:
Base-Base interactions energy: -44.283
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.115
local terms energy: -48.445204
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -81.512985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.512985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.512985 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -28.078
Base-Backbone interact. energy: -0.182
local terms energy: -50.882848
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.456
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: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -76.130572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.130572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.130572 (E_RNA)
where:
Base-Base interactions energy: -23.413
where: short stacking energy: -19.241
Base-Backbone interact. energy: -0.252
local terms energy: -52.466017
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: 2.089
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: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -224.226730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.226730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.226730 (E_RNA)
where:
Base-Base interactions energy: -153.872
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.165
local terms energy: -70.189588
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -21.635
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: 430
Temperature: 0.950000
Total energy: -225.849129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849129 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.187
local terms energy: -77.292296
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -19.248
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: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -225.808072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.808072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.808072 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -75.045
Base-Backbone interact. energy: -0.001
local terms energy: -76.030588
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -214.290432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.290432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290432 (E_RNA)
where:
Base-Base interactions energy: -137.342
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.245
local terms energy: -76.703668
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -178.967393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.967393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.967393 (E_RNA)
where:
Base-Base interactions energy: -131.311
where: short stacking energy: -48.603
Base-Backbone interact. energy: 0.368
local terms energy: -48.024540
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -171.265791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.265791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.265791 (E_RNA)
where:
Base-Base interactions energy: -106.090
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.036
local terms energy: -65.140167
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -11.340
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -106.458477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.458477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.458477 (E_RNA)
where:
Base-Base interactions energy: -53.450
where: short stacking energy: -29.188
Base-Backbone interact. energy: -1.569
local terms energy: -51.438565
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -103.925013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.925013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.925013 (E_RNA)
where:
Base-Base interactions energy: -56.360
where: short stacking energy: -41.209
Base-Backbone interact. energy: -0.100
local terms energy: -47.465598
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -78.850206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850206 (E_RNA)
where:
Base-Base interactions energy: -25.238
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.022
local terms energy: -53.589767
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -3.793
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -80.040341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.040341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.040341 (E_RNA)
where:
Base-Base interactions energy: -22.155
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.040
local terms energy: -57.845169
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -230.146079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.146079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.146079 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -73.958
Base-Backbone interact. energy: -0.008
local terms energy: -84.387718
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -217.966035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.966035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.966035 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.159
local terms energy: -76.853617
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.296
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -225.085118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.085118 (E_RNA)
where:
Base-Base interactions energy: -148.241
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.499
local terms energy: -76.344211
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -10.778
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: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -220.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405220 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.767
local terms energy: -72.925883
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -187.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.623369 (E_RNA)
where:
Base-Base interactions energy: -122.330
where: short stacking energy: -47.609
Base-Backbone interact. energy: 0.132
local terms energy: -65.425408
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -188.485368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.485368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.485368 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.567
local terms energy: -59.662920
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -80.236488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236488 (E_RNA)
where:
Base-Base interactions energy: -27.691
where: short stacking energy: -27.691
Base-Backbone interact. energy: 0.399
local terms energy: -52.944764
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.452
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: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -91.211440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.211440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.211440 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -30.979
Base-Backbone interact. energy: 0.203
local terms energy: -55.942290
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -84.627518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627518 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -31.483
Base-Backbone interact. energy: 0.974
local terms energy: -49.899872
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -2.009
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -80.529111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529111 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.197
local terms energy: -53.897439
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -0.673
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -231.439971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.439971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.439971 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.003
local terms energy: -87.713619
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -23.493
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -215.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.318612 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.349
local terms energy: -67.896759
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -16.864
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: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -223.619780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.619780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.619780 (E_RNA)
where:
Base-Base interactions energy: -155.179
where: short stacking energy: -81.247
Base-Backbone interact. energy: 2.113
local terms energy: -70.553884
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -212.756726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.756726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.756726 (E_RNA)
where:
Base-Base interactions energy: -139.635
where: short stacking energy: -63.352
Base-Backbone interact. energy: 0.489
local terms energy: -73.610184
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.963
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -180.165562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.165562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.165562 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.090
local terms energy: -57.438806
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -173.190624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.190624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.190624 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -50.494
Base-Backbone interact. energy: -0.069
local terms energy: -63.634754
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -98.542724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.542724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.542724 (E_RNA)
where:
Base-Base interactions energy: -51.636
where: short stacking energy: -48.631
Base-Backbone interact. energy: -0.330
local terms energy: -46.576693
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -86.919986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919986 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.027
local terms energy: -46.461408
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -84.148144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.148144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.148144 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -27.122
Base-Backbone interact. energy: 0.405
local terms energy: -51.180115
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -6.090
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -73.484674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.484674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.484674 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -18.647
Base-Backbone interact. energy: -0.105
local terms energy: -49.287272
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -227.874779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.874779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.874779 (E_RNA)
where:
Base-Base interactions energy: -155.021
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.000
local terms energy: -72.853268
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -19.525
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: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -225.463775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.463775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.463775 (E_RNA)
where:
Base-Base interactions energy: -148.689
where: short stacking energy: -79.329
Base-Backbone interact. energy: -0.404
local terms energy: -76.370988
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -198.164819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.164819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.164819 (E_RNA)
where:
Base-Base interactions energy: -129.362
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.094
local terms energy: -68.708601
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -216.375684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.375684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375684 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.039
local terms energy: -75.382755
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -192.364063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.364063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.364063 (E_RNA)
where:
Base-Base interactions energy: -126.188
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.064
local terms energy: -66.112729
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -164.661209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.661209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.661209 (E_RNA)
where:
Base-Base interactions energy: -105.630
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.124
local terms energy: -58.907428
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -92.520104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520104 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.142
local terms energy: -49.216208
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -88.259552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259552 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.062
local terms energy: -50.611153
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -3.686
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: 433
Temperature: 1.300000
Total energy: -72.600184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.600184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.600184 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -28.008
Base-Backbone interact. energy: 1.045
local terms energy: -45.637358
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.911811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.911811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.911811 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -25.341
Base-Backbone interact. energy: -0.697
local terms energy: -45.139669
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -2.648
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -229.418951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.418951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.418951 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.127
local terms energy: -78.198299
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -213.114316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.114316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.114316 (E_RNA)
where:
Base-Base interactions energy: -130.951
where: short stacking energy: -65.498
Base-Backbone interact. energy: -1.223
local terms energy: -80.940878
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -20.948
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -216.378154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.378154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.378154 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.003
local terms energy: -74.389504
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -19.580
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: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -207.538499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.538499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.538499 (E_RNA)
where:
Base-Base interactions energy: -135.616
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.276
local terms energy: -71.646844
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -179.606238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.606238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.606238 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.243
local terms energy: -62.054716
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -175.914491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.914491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.914491 (E_RNA)
where:
Base-Base interactions energy: -115.270
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.064
local terms energy: -60.580810
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -8.510
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -94.499832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.499832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.499832 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -32.566
Base-Backbone interact. energy: -0.065
local terms energy: -47.475544
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -2.092
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: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -78.318490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318490 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.217
local terms energy: -50.104089
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -0.111
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -78.776789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776789 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.402
local terms energy: -46.331180
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -73.923928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.923928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.923928 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -20.550
Base-Backbone interact. energy: -0.331
local terms energy: -40.708802
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -5.787
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: 435
Temperature: 0.900000
Total energy: -230.468323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.468323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.468323 (E_RNA)
where:
Base-Base interactions energy: -150.590
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.001
local terms energy: -79.877324
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -227.180949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.180949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.180949 (E_RNA)
where:
Base-Base interactions energy: -148.839
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.002
local terms energy: -78.340260
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -216.300038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300038 (E_RNA)
where:
Base-Base interactions energy: -139.654
where: short stacking energy: -69.906
Base-Backbone interact. energy: -0.004
local terms energy: -76.641971
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -191.321900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.321900 (E_RNA)
where:
Base-Base interactions energy: -124.203
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.003
local terms energy: -67.115721
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -197.556840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.556840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.556840 (E_RNA)
where:
Base-Base interactions energy: -130.385
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.441
local terms energy: -66.730685
where:
bonds (distance) C4'-P energy: -4.221
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -173.618129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.618129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.618129 (E_RNA)
where:
Base-Base interactions energy: -114.921
where: short stacking energy: -48.860
Base-Backbone interact. energy: 1.403
local terms energy: -60.100042
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -89.848137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.848137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.848137 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.354
local terms energy: -50.354893
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -85.201579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.201579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.201579 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -30.731
Base-Backbone interact. energy: 0.094
local terms energy: -54.564963
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -82.089042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.089042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.089042 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -30.938
Base-Backbone interact. energy: 0.165
local terms energy: -51.315264
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -8.594
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: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -89.646583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646583 (E_RNA)
where:
Base-Base interactions energy: -38.055
where: short stacking energy: -19.816
Base-Backbone interact. energy: -0.334
local terms energy: -51.256934
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -230.335581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.335581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.335581 (E_RNA)
where:
Base-Base interactions energy: -150.403
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.001
local terms energy: -79.931473
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -222.374585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.374585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.374585 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -71.317
Base-Backbone interact. energy: -0.002
local terms energy: -78.499683
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -213.426814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426814 (E_RNA)
where:
Base-Base interactions energy: -138.977
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.328
local terms energy: -74.122570
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -19.819
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: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -199.596382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.596382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.596382 (E_RNA)
where:
Base-Base interactions energy: -123.943
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.107
local terms energy: -75.545986
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -171.317828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.317828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.317828 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -52.341
Base-Backbone interact. energy: 1.878
local terms energy: -56.119525
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -205.030398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.030398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.030398 (E_RNA)
where:
Base-Base interactions energy: -138.897
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.044
local terms energy: -66.088650
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -79.885963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.885963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.885963 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.149
local terms energy: -46.553179
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -1.579
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: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -89.546231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546231 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -24.840
Base-Backbone interact. energy: -0.410
local terms energy: -49.452739
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.015
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: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -81.475730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.475730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.475730 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.268
local terms energy: -41.635323
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: 2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -78.325276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.325276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.325276 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -25.878
Base-Backbone interact. energy: 0.534
local terms energy: -45.939278
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -2.079
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: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -231.715471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.715471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.715471 (E_RNA)
where:
Base-Base interactions energy: -152.205
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.005
local terms energy: -79.504957
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -216.772075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.772075 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.291
local terms energy: -80.620007
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -219.871088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.871088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.871088 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.096
local terms energy: -72.174851
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -189.142796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.142796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.142796 (E_RNA)
where:
Base-Base interactions energy: -129.006
where: short stacking energy: -55.505
Base-Backbone interact. energy: 3.436
local terms energy: -63.572311
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -189.441194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.441194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.441194 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -47.644
Base-Backbone interact. energy: -0.562
local terms energy: -62.562379
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -8.229
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: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -198.964690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.964690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.964690 (E_RNA)
where:
Base-Base interactions energy: -136.146
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.016
local terms energy: -62.802138
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -85.693354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.693354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.693354 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.313
local terms energy: -53.648395
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.425
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: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -96.497915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.497915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.497915 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.073
local terms energy: -55.869430
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -83.330309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330309 (E_RNA)
where:
Base-Base interactions energy: -42.013
where: short stacking energy: -19.791
Base-Backbone interact. energy: -1.188
local terms energy: -40.129458
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: 5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -80.974392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974392 (E_RNA)
where:
Base-Base interactions energy: -29.223
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.071
local terms energy: -51.680679
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.708
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: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -231.460012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.460012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.460012 (E_RNA)
where:
Base-Base interactions energy: -154.224
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.415
local terms energy: -76.820838
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -230.930689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930689 (E_RNA)
where:
Base-Base interactions energy: -161.293
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.096
local terms energy: -69.541876
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -213.230521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230521 (E_RNA)
where:
Base-Base interactions energy: -145.436
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.002
local terms energy: -67.791933
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -199.561850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561850 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.002
local terms energy: -66.839895
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -212.472666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.472666 (E_RNA)
where:
Base-Base interactions energy: -147.034
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.006
local terms energy: -65.432946
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -7.674
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -178.092987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.092987 (E_RNA)
where:
Base-Base interactions energy: -119.347
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.900
local terms energy: -57.846891
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.721
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: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -107.923890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.923890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.923890 (E_RNA)
where:
Base-Base interactions energy: -56.527
where: short stacking energy: -29.537
Base-Backbone interact. energy: -0.240
local terms energy: -51.156698
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.940
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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -89.486795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.486795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.486795 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -33.337
Base-Backbone interact. energy: -0.631
local terms energy: -55.519572
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -83.349013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349013 (E_RNA)
where:
Base-Base interactions energy: -42.476
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.040
local terms energy: -40.833760
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -1.624
tors. eta vs tors. theta energy: -2.547
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: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -111.304517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.304517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.304517 (E_RNA)
where:
Base-Base interactions energy: -66.105
where: short stacking energy: -26.587
Base-Backbone interact. energy: 0.388
local terms energy: -45.587309
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -233.056750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.056750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.056750 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.352
local terms energy: -80.979757
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -224.663520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.663520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663520 (E_RNA)
where:
Base-Base interactions energy: -147.589
where: short stacking energy: -78.328
Base-Backbone interact. energy: -0.000
local terms energy: -77.074288
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -217.837156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.837156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.837156 (E_RNA)
where:
Base-Base interactions energy: -140.523
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.710
local terms energy: -76.604429
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -224.670028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.670028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.670028 (E_RNA)
where:
Base-Base interactions energy: -148.966
where: short stacking energy: -75.656
Base-Backbone interact. energy: -0.041
local terms energy: -75.663080
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -188.666201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.666201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.666201 (E_RNA)
where:
Base-Base interactions energy: -122.290
where: short stacking energy: -53.167
Base-Backbone interact. energy: 0.511
local terms energy: -66.887224
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -176.381000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.381000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.381000 (E_RNA)
where:
Base-Base interactions energy: -117.963
where: short stacking energy: -54.399
Base-Backbone interact. energy: -0.101
local terms energy: -58.316802
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.236
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: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -119.134943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.134943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.134943 (E_RNA)
where:
Base-Base interactions energy: -65.712
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.022
local terms energy: -53.400958
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -8.392
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: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -80.771651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.771651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.771651 (E_RNA)
where:
Base-Base interactions energy: -35.874
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.077
local terms energy: -44.820899
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -5.218
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: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -79.513102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.513102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.513102 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -23.414
Base-Backbone interact. energy: -0.046
local terms energy: -46.867512
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -96.244018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244018 (E_RNA)
where:
Base-Base interactions energy: -55.251
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.319
local terms energy: -40.674047
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -233.607674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.607674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.607674 (E_RNA)
where:
Base-Base interactions energy: -154.340
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.119
local terms energy: -79.148559
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -228.305626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.305626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.305626 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.055
local terms energy: -78.198278
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -217.587984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.587984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.587984 (E_RNA)
where:
Base-Base interactions energy: -139.289
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.805
local terms energy: -77.494186
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -21.627
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: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -221.862080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.862080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.862080 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.626
local terms energy: -81.884860
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -183.024105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.024105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.024105 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.049
local terms energy: -57.923188
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -136.042210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.042210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.042210 (E_RNA)
where:
Base-Base interactions energy: -79.899
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.774
local terms energy: -55.369918
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -6.153
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: 440
Temperature: 1.200000
Total energy: -95.615947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615947 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.199
local terms energy: -57.517019
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -92.793222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793222 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -31.044
Base-Backbone interact. energy: 0.878
local terms energy: -38.899148
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: 1.271
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -96.614847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.614847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.614847 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -33.637
Base-Backbone interact. energy: -1.100
local terms energy: -54.587581
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -8.528
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: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -87.486910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486910 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -20.550
Base-Backbone interact. energy: -0.548
local terms energy: -47.928151
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -3.406
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: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -228.580002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.580002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.580002 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.001
local terms energy: -73.793065
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -228.604348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.604348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.604348 (E_RNA)
where:
Base-Base interactions energy: -149.866
where: short stacking energy: -76.281
Base-Backbone interact. energy: -2.016
local terms energy: -76.722407
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -213.612359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.612359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.612359 (E_RNA)
where:
Base-Base interactions energy: -142.888
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.109
local terms energy: -70.615552
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -223.264797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.264797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.264797 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -70.971
Base-Backbone interact. energy: -0.003
local terms energy: -83.845784
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -189.062320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.062320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.062320 (E_RNA)
where:
Base-Base interactions energy: -122.269
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.029
local terms energy: -66.764239
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -13.581
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -169.320647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.320647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.320647 (E_RNA)
where:
Base-Base interactions energy: -105.126
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.230
local terms energy: -63.964241
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -106.128412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128412 (E_RNA)
where:
Base-Base interactions energy: -47.936
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.162
local terms energy: -58.030720
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -83.874653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.874653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.874653 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -36.587
Base-Backbone interact. energy: -0.229
local terms energy: -46.733442
where:
bonds (distance) C4'-P energy: -7.957
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -79.316473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.316473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.316473 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -25.362
Base-Backbone interact. energy: -0.390
local terms energy: -51.268805
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -72.228641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.228641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.228641 (E_RNA)
where:
Base-Base interactions energy: -24.993
where: short stacking energy: -18.392
Base-Backbone interact. energy: -0.571
local terms energy: -46.664830
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -234.763550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.763550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.763550 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.374
local terms energy: -76.652591
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -223.451603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451603 (E_RNA)
where:
Base-Base interactions energy: -149.110
where: short stacking energy: -71.285
Base-Backbone interact. energy: -1.276
local terms energy: -73.065844
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -226.484542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.484542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.484542 (E_RNA)
where:
Base-Base interactions energy: -151.262
where: short stacking energy: -78.454
Base-Backbone interact. energy: -0.001
local terms energy: -75.221277
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -201.651724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651724 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -68.526
Base-Backbone interact. energy: -0.074
local terms energy: -73.307553
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -182.242759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242759 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.000
local terms energy: -71.876619
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -6.043
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -167.957827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.957827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.957827 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -45.112
Base-Backbone interact. energy: 0.288
local terms energy: -56.614438
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -92.155519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155519 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.650
local terms energy: -54.122732
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -91.575797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.575797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.575797 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.266
local terms energy: -58.219301
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -84.263021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.263021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.263021 (E_RNA)
where:
Base-Base interactions energy: -36.775
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.045
local terms energy: -47.443028
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -1.255
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: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -80.919507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.919507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.919507 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.098
local terms energy: -43.917925
where:
bonds (distance) C4'-P energy: -8.196
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -229.234889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.234889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.234889 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.582
local terms energy: -80.695900
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -224.612359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.612359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.612359 (E_RNA)
where:
Base-Base interactions energy: -146.297
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.129
local terms energy: -78.186347
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -225.522244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.522244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522244 (E_RNA)
where:
Base-Base interactions energy: -154.468
where: short stacking energy: -79.940
Base-Backbone interact. energy: -0.003
local terms energy: -71.051588
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -206.032238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.032238 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.001
local terms energy: -72.293622
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -181.163500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.163500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.163500 (E_RNA)
where:
Base-Base interactions energy: -117.921
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.099
local terms energy: -63.143334
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -178.875782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.875782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.875782 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.148
local terms energy: -67.468382
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -18.299
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: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -90.367948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367948 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -39.171
Base-Backbone interact. energy: -0.076
local terms energy: -48.664140
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -74.561571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.561571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.561571 (E_RNA)
where:
Base-Base interactions energy: -23.584
where: short stacking energy: -22.257
Base-Backbone interact. energy: -0.164
local terms energy: -50.813754
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -89.064667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.064667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.064667 (E_RNA)
where:
Base-Base interactions energy: -38.657
where: short stacking energy: -29.993
Base-Backbone interact. energy: -0.187
local terms energy: -50.220142
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -87.171547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.171547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.171547 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -31.010
Base-Backbone interact. energy: -0.342
local terms energy: -52.560224
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -228.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.555834 (E_RNA)
where:
Base-Base interactions energy: -153.578
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.013
local terms energy: -74.964679
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -20.893
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -228.462339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.462339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.462339 (E_RNA)
where:
Base-Base interactions energy: -155.915
where: short stacking energy: -76.084
Base-Backbone interact. energy: -0.001
local terms energy: -72.546140
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -21.508
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -228.266699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.266699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.266699 (E_RNA)
where:
Base-Base interactions energy: -150.126
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.218
local terms energy: -77.922329
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -201.412624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.412624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.412624 (E_RNA)
where:
Base-Base interactions energy: -129.872
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.024
local terms energy: -71.516199
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -185.129983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.129983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.129983 (E_RNA)
where:
Base-Base interactions energy: -116.408
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.034
local terms energy: -68.687635
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -176.114263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.114263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.114263 (E_RNA)
where:
Base-Base interactions energy: -113.032
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.037
local terms energy: -63.045464
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -96.733972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.733972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.733972 (E_RNA)
where:
Base-Base interactions energy: -44.974
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.289
local terms energy: -51.470555
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -78.348202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.348202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.348202 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.152
local terms energy: -47.140686
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -76.369147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369147 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -13.244
Base-Backbone interact. energy: 1.351
local terms energy: -43.053141
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: 1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -88.385840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.385840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.385840 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.218
local terms energy: -48.938659
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -240.033271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.033271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.033271 (E_RNA)
where:
Base-Base interactions energy: -156.401
where: short stacking energy: -77.830
Base-Backbone interact. energy: -0.000
local terms energy: -83.632061
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -230.793211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.793211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793211 (E_RNA)
where:
Base-Base interactions energy: -157.534
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.001
local terms energy: -73.258662
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -224.850839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.850839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.850839 (E_RNA)
where:
Base-Base interactions energy: -147.066
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.005
local terms energy: -77.780416
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -194.113961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.113961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.113961 (E_RNA)
where:
Base-Base interactions energy: -120.291
where: short stacking energy: -55.616
Base-Backbone interact. energy: -1.040
local terms energy: -72.783366
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -181.398195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.398195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.398195 (E_RNA)
where:
Base-Base interactions energy: -103.882
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.067
local terms energy: -77.449356
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -184.238555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.238555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.238555 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.005
local terms energy: -64.042126
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -16.478
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -116.296555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.296555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.296555 (E_RNA)
where:
Base-Base interactions energy: -63.492
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.754
local terms energy: -52.050403
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -7.736
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: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -99.735146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.735146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.735146 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -26.807
Base-Backbone interact. energy: 0.018
local terms energy: -53.388987
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -75.713671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.713671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.713671 (E_RNA)
where:
Base-Base interactions energy: -34.001
where: short stacking energy: -34.001
Base-Backbone interact. energy: -0.061
local terms energy: -41.651369
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -6.121
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: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -79.750213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.750213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.750213 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -24.319
Base-Backbone interact. energy: -0.190
local terms energy: -45.393833
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -4.163
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: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -231.752165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.752165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.752165 (E_RNA)
where:
Base-Base interactions energy: -150.354
where: short stacking energy: -74.858
Base-Backbone interact. energy: -0.176
local terms energy: -81.222307
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -224.734995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.734995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.734995 (E_RNA)
where:
Base-Base interactions energy: -149.114
where: short stacking energy: -64.662
Base-Backbone interact. energy: -1.378
local terms energy: -74.242743
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.865
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: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -221.934646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.934646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.934646 (E_RNA)
where:
Base-Base interactions energy: -142.131
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.053
local terms energy: -79.750725
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -14.363
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: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -211.424631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.424631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.424631 (E_RNA)
where:
Base-Base interactions energy: -139.731
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.155
local terms energy: -71.538523
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -179.395339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.395339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.395339 (E_RNA)
where:
Base-Base interactions energy: -118.063
where: short stacking energy: -54.175
Base-Backbone interact. energy: 0.163
local terms energy: -61.494725
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -169.486859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.486859 (E_RNA)
where:
Base-Base interactions energy: -106.123
where: short stacking energy: -49.527
Base-Backbone interact. energy: -0.280
local terms energy: -63.083453
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -86.532412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.532412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.532412 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.913
local terms energy: -45.262161
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -85.932386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.932386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.932386 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -30.029
Base-Backbone interact. energy: 0.344
local terms energy: -55.212176
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -81.147657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147657 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -28.100
Base-Backbone interact. energy: 0.164
local terms energy: -44.053153
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -0.361
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: 446
Temperature: 1.350000
Total energy: -86.444829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.444829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.444829 (E_RNA)
where:
Base-Base interactions energy: -28.342
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.100
local terms energy: -58.003044
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -236.454997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.454997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.454997 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -71.880
Base-Backbone interact. energy: -0.002
local terms energy: -82.302519
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -222.845546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.845546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.845546 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.323
local terms energy: -78.105182
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -225.669903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.669903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.669903 (E_RNA)
where:
Base-Base interactions energy: -152.368
where: short stacking energy: -69.274
Base-Backbone interact. energy: -0.638
local terms energy: -72.663875
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -220.895915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.895915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.895915 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -74.913
Base-Backbone interact. energy: -0.007
local terms energy: -73.243267
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -177.455763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.455763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.455763 (E_RNA)
where:
Base-Base interactions energy: -105.607
where: short stacking energy: -47.050
Base-Backbone interact. energy: 0.159
local terms energy: -72.007886
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.542
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: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -177.529704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.529704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.529704 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.035
local terms energy: -61.313612
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -91.336863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.336863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.336863 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.041
local terms energy: -57.328526
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -90.710525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.710525 (E_RNA)
where:
Base-Base interactions energy: -36.576
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.105
local terms energy: -54.029687
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -86.853557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.853557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.853557 (E_RNA)
where:
Base-Base interactions energy: -43.068
where: short stacking energy: -31.233
Base-Backbone interact. energy: 0.815
local terms energy: -44.600888
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.296
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: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -80.948151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.948151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.948151 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -30.720
Base-Backbone interact. energy: -0.407
local terms energy: -48.074081
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -214.498850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.498850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.498850 (E_RNA)
where:
Base-Base interactions energy: -146.221
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.169
local terms energy: -68.109658
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -231.554878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.554878 (E_RNA)
where:
Base-Base interactions energy: -152.961
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.000
local terms energy: -78.593602
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -218.647622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647622 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -73.859
Base-Backbone interact. energy: -0.046
local terms energy: -80.197487
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -218.929590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929590 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.015
local terms energy: -77.577451
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -180.791013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791013 (E_RNA)
where:
Base-Base interactions energy: -119.693
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.180
local terms energy: -60.917141
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -191.575379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.575379 (E_RNA)
where:
Base-Base interactions energy: -124.304
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.002
local terms energy: -67.269374
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.129
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: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -114.190998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.190998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.190998 (E_RNA)
where:
Base-Base interactions energy: -60.336
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.117
local terms energy: -53.737054
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -92.266016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.266016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.266016 (E_RNA)
where:
Base-Base interactions energy: -41.180
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.090
local terms energy: -50.996242
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -7.321
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -82.658689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.658689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.658689 (E_RNA)
where:
Base-Base interactions energy: -28.000
where: short stacking energy: -24.691
Base-Backbone interact. energy: -0.219
local terms energy: -54.439111
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -5.741
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -79.770742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.770742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.770742 (E_RNA)
where:
Base-Base interactions energy: -26.681
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.074
local terms energy: -53.015894
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -218.714535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.714535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.714535 (E_RNA)
where:
Base-Base interactions energy: -150.764
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.100
local terms energy: -67.850333
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.350
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -229.060338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.060338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.060338 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -77.995
Base-Backbone interact. energy: -0.588
local terms energy: -75.532363
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -208.806463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806463 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.588
local terms energy: -75.581809
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -210.792018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.792018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.792018 (E_RNA)
where:
Base-Base interactions energy: -139.786
where: short stacking energy: -77.107
Base-Backbone interact. energy: -0.057
local terms energy: -70.948751
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -182.307639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307639 (E_RNA)
where:
Base-Base interactions energy: -117.328
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.041
local terms energy: -64.938206
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -176.873619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.873619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.873619 (E_RNA)
where:
Base-Base interactions energy: -107.552
where: short stacking energy: -52.809
Base-Backbone interact. energy: 0.080
local terms energy: -69.401643
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -101.340713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.340713 (E_RNA)
where:
Base-Base interactions energy: -52.493
where: short stacking energy: -24.114
Base-Backbone interact. energy: -0.163
local terms energy: -48.684653
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -93.290046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.290046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.290046 (E_RNA)
where:
Base-Base interactions energy: -44.995
where: short stacking energy: -29.024
Base-Backbone interact. energy: -0.483
local terms energy: -47.812662
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 0.012
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: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -90.461989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.461989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.461989 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -28.293
Base-Backbone interact. energy: 0.063
local terms energy: -55.526812
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -79.836865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.836865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.836865 (E_RNA)
where:
Base-Base interactions energy: -23.689
where: short stacking energy: -23.689
Base-Backbone interact. energy: -0.334
local terms energy: -55.813569
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -227.096066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.096066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096066 (E_RNA)
where:
Base-Base interactions energy: -151.126
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.708
local terms energy: -75.261217
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -21.415
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: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.621087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.621087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.621087 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -58.244
Base-Backbone interact. energy: 0.472
local terms energy: -71.451253
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -220.482548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482548 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -70.444
Base-Backbone interact. energy: -0.001
local terms energy: -78.174215
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -213.121441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.121441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.121441 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.003
local terms energy: -65.142000
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -179.323106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.323106 (E_RNA)
where:
Base-Base interactions energy: -124.956
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.007
local terms energy: -54.359305
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -180.764584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.764584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.764584 (E_RNA)
where:
Base-Base interactions energy: -127.117
where: short stacking energy: -53.753
Base-Backbone interact. energy: -0.299
local terms energy: -53.349134
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -102.126117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.126117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.126117 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.722
local terms energy: -53.345106
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -111.868356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.868356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.868356 (E_RNA)
where:
Base-Base interactions energy: -65.296
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.130
local terms energy: -46.441742
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -88.474229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.474229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.474229 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.145
local terms energy: -49.720878
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -7.778
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: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -89.745842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.745842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.745842 (E_RNA)
where:
Base-Base interactions energy: -42.143
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.295
local terms energy: -47.308297
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -232.286736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.286736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.286736 (E_RNA)
where:
Base-Base interactions energy: -151.248
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.212
local terms energy: -80.826347
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -234.650571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.650571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.650571 (E_RNA)
where:
Base-Base interactions energy: -153.768
where: short stacking energy: -80.252
Base-Backbone interact. energy: -0.424
local terms energy: -80.458396
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -225.969272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.969272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.969272 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.742
local terms energy: -81.342230
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -20.961
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: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -213.627606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.627606 (E_RNA)
where:
Base-Base interactions energy: -140.806
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.609
local terms energy: -72.212405
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -201.396659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.396659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.396659 (E_RNA)
where:
Base-Base interactions energy: -131.646
where: short stacking energy: -57.828
Base-Backbone interact. energy: -1.017
local terms energy: -68.733291
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -178.861390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.861390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.861390 (E_RNA)
where:
Base-Base interactions energy: -115.006
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.006
local terms energy: -63.849440
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -87.446103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.446103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.446103 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -25.742
Base-Backbone interact. energy: 3.359
local terms energy: -55.249731
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -122.015075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.015075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.015075 (E_RNA)
where:
Base-Base interactions energy: -66.582
where: short stacking energy: -40.410
Base-Backbone interact. energy: -0.095
local terms energy: -55.337675
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.324
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: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.273541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.273541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.273541 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.015
local terms energy: -54.283053
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -81.780069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780069 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -19.862
Base-Backbone interact. energy: -0.094
local terms energy: -49.574017
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.775
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: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -233.118474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118474 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.007
local terms energy: -80.522787
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -215.726851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.726851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.726851 (E_RNA)
where:
Base-Base interactions energy: -134.614
where: short stacking energy: -67.060
Base-Backbone interact. energy: -0.005
local terms energy: -81.107513
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -14.984
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: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -229.699279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.699279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.699279 (E_RNA)
where:
Base-Base interactions energy: -158.222
where: short stacking energy: -78.279
Base-Backbone interact. energy: -0.002
local terms energy: -71.475319
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -215.163086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.163086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.163086 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.811
local terms energy: -75.803040
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.281
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: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -188.034856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.034856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.034856 (E_RNA)
where:
Base-Base interactions energy: -126.196
where: short stacking energy: -49.625
Base-Backbone interact. energy: -2.274
local terms energy: -59.565119
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -174.848357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.848357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.848357 (E_RNA)
where:
Base-Base interactions energy: -113.764
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.018
local terms energy: -61.066208
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -133.088754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.088754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.088754 (E_RNA)
where:
Base-Base interactions energy: -80.485
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.810
local terms energy: -51.793465
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -89.128482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128482 (E_RNA)
where:
Base-Base interactions energy: -42.843
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.053
local terms energy: -46.232827
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -72.214759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.214759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.214759 (E_RNA)
where:
Base-Base interactions energy: -16.697
where: short stacking energy: -16.521
Base-Backbone interact. energy: 0.427
local terms energy: -55.944943
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -78.593685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593685 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.671
local terms energy: -44.994235
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -233.833598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.833598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.833598 (E_RNA)
where:
Base-Base interactions energy: -154.375
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.001
local terms energy: -79.458218
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -23.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -230.909557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909557 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -78.203
Base-Backbone interact. energy: -0.000
local terms energy: -77.274099
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -218.977830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977830 (E_RNA)
where:
Base-Base interactions energy: -142.522
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.561
local terms energy: -75.894344
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -20.517
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: 453
Temperature: 1.050000
Total energy: -194.201547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.201547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.201547 (E_RNA)
where:
Base-Base interactions energy: -126.991
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.080
local terms energy: -67.130915
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -213.226518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.226518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.226518 (E_RNA)
where:
Base-Base interactions energy: -146.948
where: short stacking energy: -72.927
Base-Backbone interact. energy: 0.380
local terms energy: -66.658704
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -8.228
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -123.304761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.304761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.304761 (E_RNA)
where:
Base-Base interactions energy: -69.281
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.151
local terms energy: -53.872937
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -132.255391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.255391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.255391 (E_RNA)
where:
Base-Base interactions energy: -79.429
where: short stacking energy: -39.056
Base-Backbone interact. energy: -0.008
local terms energy: -52.817552
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -93.048901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.048901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.048901 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -38.432
Base-Backbone interact. energy: -0.206
local terms energy: -50.347011
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -99.873737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.873737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.873737 (E_RNA)
where:
Base-Base interactions energy: -51.791
where: short stacking energy: -20.789
Base-Backbone interact. energy: -0.282
local terms energy: -47.800482
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -80.485792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.485792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.485792 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -28.743
Base-Backbone interact. energy: 0.296
local terms energy: -52.038523
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -4.103
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: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -232.730656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.730656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.730656 (E_RNA)
where:
Base-Base interactions energy: -152.320
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.502
local terms energy: -79.908705
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -224.370247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.370247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.370247 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -74.271
Base-Backbone interact. energy: -1.036
local terms energy: -73.180410
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -21.359
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: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -215.362998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362998 (E_RNA)
where:
Base-Base interactions energy: -142.209
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.002
local terms energy: -73.152536
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -200.724697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.724697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.724697 (E_RNA)
where:
Base-Base interactions energy: -128.079
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.123
local terms energy: -72.523037
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -205.427387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.427387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.427387 (E_RNA)
where:
Base-Base interactions energy: -133.107
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.074
local terms energy: -72.246152
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -133.593204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.593204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.593204 (E_RNA)
where:
Base-Base interactions energy: -72.209
where: short stacking energy: -42.570
Base-Backbone interact. energy: -0.769
local terms energy: -60.615589
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -143.983033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.983033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.983033 (E_RNA)
where:
Base-Base interactions energy: -90.612
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.130
local terms energy: -53.241255
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -6.473
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: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -90.488931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488931 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.082
local terms energy: -56.577583
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -89.545733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.545733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.545733 (E_RNA)
where:
Base-Base interactions energy: -35.078
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.255
local terms energy: -54.213128
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -6.090
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: 454
Temperature: 1.350000
Total energy: -73.603785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.603785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.603785 (E_RNA)
where:
Base-Base interactions energy: -29.200
where: short stacking energy: -21.921
Base-Backbone interact. energy: 0.748
local terms energy: -45.151127
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -220.768994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.768994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.768994 (E_RNA)
where:
Base-Base interactions energy: -142.856
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.254
local terms energy: -77.659264
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -227.118998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.118998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.118998 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.160
local terms energy: -74.050449
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -217.419853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.419853 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.100
local terms energy: -75.161351
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -214.914577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914577 (E_RNA)
where:
Base-Base interactions energy: -143.584
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.660
local terms energy: -70.671123
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -6.069
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: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -184.444442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.444442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.444442 (E_RNA)
where:
Base-Base interactions energy: -117.465
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.332
local terms energy: -66.647400
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -147.141357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.141357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.141357 (E_RNA)
where:
Base-Base interactions energy: -88.432
where: short stacking energy: -46.334
Base-Backbone interact. energy: 0.234
local terms energy: -58.942449
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -129.964254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.964254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.964254 (E_RNA)
where:
Base-Base interactions energy: -77.715
where: short stacking energy: -39.068
Base-Backbone interact. energy: -0.059
local terms energy: -52.190448
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -98.466694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.466694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.466694 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -37.405
Base-Backbone interact. energy: -0.299
local terms energy: -53.070945
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -7.761
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: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -98.545690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.545690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.545690 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -34.135
Base-Backbone interact. energy: -1.182
local terms energy: -52.207990
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -86.243254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243254 (E_RNA)
where:
Base-Base interactions energy: -42.358
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.984
local terms energy: -42.901304
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -222.740325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740325 (E_RNA)
where:
Base-Base interactions energy: -143.934
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.161
local terms energy: -78.644874
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -20.071
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -218.520681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.520681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.520681 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.010
local terms energy: -76.533519
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -212.700882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.700882 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.000
local terms energy: -78.805008
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -212.805185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.805185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.805185 (E_RNA)
where:
Base-Base interactions energy: -136.487
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.188
local terms energy: -76.130431
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -189.186691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.186691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.186691 (E_RNA)
where:
Base-Base interactions energy: -125.194
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.050
local terms energy: -63.942260
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -161.876549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.876549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.876549 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.307
local terms energy: -57.441586
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -8.129
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: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -140.846002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.846002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.846002 (E_RNA)
where:
Base-Base interactions energy: -80.215
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.111
local terms energy: -60.519782
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -83.917055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917055 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.069
local terms energy: -45.051162
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -4.123
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -80.462621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.462621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.462621 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -21.538
Base-Backbone interact. energy: -0.352
local terms energy: -48.194766
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -0.114
tors. eta vs tors. theta energy: -3.531
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: 456
Temperature: 1.350000
Total energy: -77.152228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.152228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.152228 (E_RNA)
where:
Base-Base interactions energy: -36.089
where: short stacking energy: -11.097
Base-Backbone interact. energy: 1.248
local terms energy: -42.311221
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: 5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -224.640015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.640015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.640015 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.156
local terms energy: -72.952838
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -17.838
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: 457
Temperature: 0.950000
Total energy: -220.076982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.076982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.076982 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.269
local terms energy: -73.628951
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.424
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: 457
Temperature: 1.000000
Total energy: -209.432002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.432002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.432002 (E_RNA)
where:
Base-Base interactions energy: -138.679
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.171
local terms energy: -70.582369
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -197.260022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.260022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.260022 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -69.494
Base-Backbone interact. energy: -0.216
local terms energy: -75.789724
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -192.668156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.668156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.668156 (E_RNA)
where:
Base-Base interactions energy: -127.209
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.512
local terms energy: -64.946929
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -147.093700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.093700 (E_RNA)
where:
Base-Base interactions energy: -95.996
where: short stacking energy: -47.996
Base-Backbone interact. energy: -1.965
local terms energy: -49.132570
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.396
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: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -135.105190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.105190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.105190 (E_RNA)
where:
Base-Base interactions energy: -77.877
where: short stacking energy: -34.959
Base-Backbone interact. energy: 1.174
local terms energy: -58.401860
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -80.860437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860437 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -31.877
Base-Backbone interact. energy: -0.023
local terms energy: -48.839766
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -77.428576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.428576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.428576 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -19.000
Base-Backbone interact. energy: 0.133
local terms energy: -51.013554
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: 0.736
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: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.774863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.774863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.774863 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -27.675
Base-Backbone interact. energy: 1.101
local terms energy: -49.200702
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -225.632498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.632498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632498 (E_RNA)
where:
Base-Base interactions energy: -145.534
where: short stacking energy: -70.241
Base-Backbone interact. energy: -0.028
local terms energy: -80.070558
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -224.389631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.389631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.389631 (E_RNA)
where:
Base-Base interactions energy: -151.429
where: short stacking energy: -69.606
Base-Backbone interact. energy: 0.439
local terms energy: -73.399978
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -231.431929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.431929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.431929 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.852
local terms energy: -81.159670
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -203.426537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.426537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.426537 (E_RNA)
where:
Base-Base interactions energy: -126.574
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.001
local terms energy: -76.851926
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -185.951377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.951377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.951377 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.129
local terms energy: -74.136739
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -142.290055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.290055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290055 (E_RNA)
where:
Base-Base interactions energy: -93.790
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.306
local terms energy: -48.193753
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -139.102365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.102365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.102365 (E_RNA)
where:
Base-Base interactions energy: -80.373
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.117
local terms energy: -58.611685
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.980790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980790 (E_RNA)
where:
Base-Base interactions energy: -36.700
where: short stacking energy: -32.864
Base-Backbone interact. energy: 0.363
local terms energy: -51.643411
where:
bonds (distance) C4'-P energy: -7.252
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -93.489107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.489107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.489107 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.117
local terms energy: -48.352760
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -84.460600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460600 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -28.901
Base-Backbone interact. energy: 1.106
local terms energy: -51.958053
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.525
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: 459
Temperature: 0.900000
Total energy: -229.444374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.444374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.444374 (E_RNA)
where:
Base-Base interactions energy: -155.617
where: short stacking energy: -74.620
Base-Backbone interact. energy: -0.854
local terms energy: -72.973200
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -220.090523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.090523 (E_RNA)
where:
Base-Base interactions energy: -149.886
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.122
local terms energy: -70.081863
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -213.521917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.521917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.521917 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -66.371
Base-Backbone interact. energy: 0.329
local terms energy: -66.525644
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -213.822650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.822650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.822650 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.007
local terms energy: -75.062752
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -189.492619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.492619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.492619 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.067
local terms energy: -64.927332
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -152.450387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.450387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.450387 (E_RNA)
where:
Base-Base interactions energy: -93.893
where: short stacking energy: -48.113
Base-Backbone interact. energy: 0.038
local terms energy: -58.595178
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -147.372138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.372138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.372138 (E_RNA)
where:
Base-Base interactions energy: -86.716
where: short stacking energy: -42.501
Base-Backbone interact. energy: -0.122
local terms energy: -60.533531
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -129.871722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.871722 (E_RNA)
where:
Base-Base interactions energy: -84.555
where: short stacking energy: -50.170
Base-Backbone interact. energy: 1.348
local terms energy: -46.664600
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -83.542303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542303 (E_RNA)
where:
Base-Base interactions energy: -29.563
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.967
local terms energy: -53.011579
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -1.911
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: 459
Temperature: 1.350000
Total energy: -79.803114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.803114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.803114 (E_RNA)
where:
Base-Base interactions energy: -35.004
where: short stacking energy: -23.047
Base-Backbone interact. energy: -1.003
local terms energy: -43.795861
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -228.028644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.028644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.028644 (E_RNA)
where:
Base-Base interactions energy: -154.201
where: short stacking energy: -74.662
Base-Backbone interact. energy: -0.003
local terms energy: -73.824100
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -217.918881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.918881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.918881 (E_RNA)
where:
Base-Base interactions energy: -135.763
where: short stacking energy: -73.808
Base-Backbone interact. energy: -0.001
local terms energy: -82.154394
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -223.861459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861459 (E_RNA)
where:
Base-Base interactions energy: -143.229
where: short stacking energy: -67.429
Base-Backbone interact. energy: -0.292
local terms energy: -80.340528
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -207.684185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.684185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.684185 (E_RNA)
where:
Base-Base interactions energy: -139.906
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.002
local terms energy: -67.776137
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -188.340375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.340375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.340375 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.003
local terms energy: -67.399059
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -155.397898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.397898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.397898 (E_RNA)
where:
Base-Base interactions energy: -93.262
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.147
local terms energy: -61.988527
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -120.164551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.164551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.164551 (E_RNA)
where:
Base-Base interactions energy: -63.933
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.563
local terms energy: -55.668158
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.664
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: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -119.642052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.642052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.642052 (E_RNA)
where:
Base-Base interactions energy: -72.378
where: short stacking energy: -33.741
Base-Backbone interact. energy: -0.181
local terms energy: -47.082377
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -1.605
tors. eta vs tors. theta energy: -9.456
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -88.545744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545744 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -21.921
Base-Backbone interact. energy: -0.305
local terms energy: -55.649804
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -8.658
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: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -89.256216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.256216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.256216 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.059
local terms energy: -51.616495
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -225.255313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.255313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.255313 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.026
local terms energy: -82.088200
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -221.355231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355231 (E_RNA)
where:
Base-Base interactions energy: -141.254
where: short stacking energy: -69.803
Base-Backbone interact. energy: -0.264
local terms energy: -79.836860
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -207.735572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735572 (E_RNA)
where:
Base-Base interactions energy: -136.571
where: short stacking energy: -78.064
Base-Backbone interact. energy: -0.008
local terms energy: -71.155857
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -181.927620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.927620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.927620 (E_RNA)
where:
Base-Base interactions energy: -110.588
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.101
local terms energy: -71.238961
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -213.912044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.912044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.912044 (E_RNA)
where:
Base-Base interactions energy: -136.589
where: short stacking energy: -68.567
Base-Backbone interact. energy: 0.881
local terms energy: -78.203197
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -21.421
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: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -146.220196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.220196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.220196 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.159
local terms energy: -60.921897
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -137.301756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.301756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.301756 (E_RNA)
where:
Base-Base interactions energy: -88.000
where: short stacking energy: -33.031
Base-Backbone interact. energy: -0.410
local terms energy: -48.891322
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -88.028669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028669 (E_RNA)
where:
Base-Base interactions energy: -33.493
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.108
local terms energy: -54.427201
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -2.486
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: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -97.157954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.157954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.157954 (E_RNA)
where:
Base-Base interactions energy: -49.831
where: short stacking energy: -35.658
Base-Backbone interact. energy: -0.444
local terms energy: -46.883624
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -87.975662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.975662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.975662 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -41.280
Base-Backbone interact. energy: -0.233
local terms energy: -44.993549
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -5.439
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: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -230.296135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.296135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.296135 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.066
local terms energy: -79.849556
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -225.341346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.341346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.341346 (E_RNA)
where:
Base-Base interactions energy: -151.321
where: short stacking energy: -76.640
Base-Backbone interact. energy: 0.845
local terms energy: -74.865196
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -215.321783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321783 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.109
local terms energy: -75.396318
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -182.901968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.901968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.901968 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.106
local terms energy: -67.053446
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -198.905120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905120 (E_RNA)
where:
Base-Base interactions energy: -131.064
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.009
local terms energy: -67.832695
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -130.074932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.074932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.074932 (E_RNA)
where:
Base-Base interactions energy: -80.706
where: short stacking energy: -37.122
Base-Backbone interact. energy: -0.209
local terms energy: -49.159517
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -135.279418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.279418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.279418 (E_RNA)
where:
Base-Base interactions energy: -78.825
where: short stacking energy: -36.337
Base-Backbone interact. energy: -0.256
local terms energy: -56.198399
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -12.129
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: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -93.990076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990076 (E_RNA)
where:
Base-Base interactions energy: -45.608
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.178
local terms energy: -48.204924
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -2.195
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -81.943791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943791 (E_RNA)
where:
Base-Base interactions energy: -34.926
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.180
local terms energy: -46.837854
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -96.234143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.234143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.234143 (E_RNA)
where:
Base-Base interactions energy: -47.048
where: short stacking energy: -21.465
Base-Backbone interact. energy: 3.192
local terms energy: -52.377995
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -232.446079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.446079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.446079 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -77.199
Base-Backbone interact. energy: -0.091
local terms energy: -77.310666
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -218.218957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.218957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.218957 (E_RNA)
where:
Base-Base interactions energy: -145.668
where: short stacking energy: -72.054
Base-Backbone interact. energy: -1.340
local terms energy: -71.210152
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -23.200
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: 463
Temperature: 1.000000
Total energy: -214.377742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.377742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.377742 (E_RNA)
where:
Base-Base interactions energy: -150.643
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.164
local terms energy: -63.571043
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -205.500465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.500465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.500465 (E_RNA)
where:
Base-Base interactions energy: -136.192
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.001
local terms energy: -69.307647
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.969
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: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -181.201306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.201306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.201306 (E_RNA)
where:
Base-Base interactions energy: -117.275
where: short stacking energy: -58.720
Base-Backbone interact. energy: 0.310
local terms energy: -64.236578
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -150.917323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.917323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.917323 (E_RNA)
where:
Base-Base interactions energy: -88.715
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.662
local terms energy: -61.540381
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -141.425601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.425601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.425601 (E_RNA)
where:
Base-Base interactions energy: -81.770
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.015
local terms energy: -59.640190
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -12.109
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: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -90.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974928 (E_RNA)
where:
Base-Base interactions energy: -33.885
where: short stacking energy: -33.786
Base-Backbone interact. energy: -1.410
local terms energy: -55.680268
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -11.794
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -83.136875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136875 (E_RNA)
where:
Base-Base interactions energy: -24.712
where: short stacking energy: -24.706
Base-Backbone interact. energy: -0.026
local terms energy: -58.398472
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -73.140118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.140118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.140118 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -25.021
Base-Backbone interact. energy: -0.287
local terms energy: -45.815454
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -3.631
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: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -232.543648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.543648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.543648 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.001
local terms energy: -78.690528
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -217.156240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.156240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.156240 (E_RNA)
where:
Base-Base interactions energy: -140.098
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.023
local terms energy: -77.035064
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -19.523
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: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -211.609499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.609499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.609499 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.360
local terms energy: -74.243484
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -221.779419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.779419 (E_RNA)
where:
Base-Base interactions energy: -150.700
where: short stacking energy: -71.700
Base-Backbone interact. energy: -0.003
local terms energy: -71.076663
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -185.385979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.385979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385979 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.213
local terms energy: -65.546339
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -16.082
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: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -125.716580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.716580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.716580 (E_RNA)
where:
Base-Base interactions energy: -85.399
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.244
local terms energy: -40.073224
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: 0.981
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -137.370048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.370048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.370048 (E_RNA)
where:
Base-Base interactions energy: -78.179
where: short stacking energy: -44.707
Base-Backbone interact. energy: -0.291
local terms energy: -58.900407
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -84.666092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666092 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -34.014
Base-Backbone interact. energy: -0.311
local terms energy: -49.534973
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -83.986386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.986386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.986386 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -27.880
Base-Backbone interact. energy: 2.759
local terms energy: -52.997832
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -9.155
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -89.860832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.860832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.860832 (E_RNA)
where:
Base-Base interactions energy: -43.962
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.085
local terms energy: -45.813612
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -234.029078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029078 (E_RNA)
where:
Base-Base interactions energy: -153.504
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.291
local terms energy: -80.233474
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -22.966
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: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -221.439841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.439841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.439841 (E_RNA)
where:
Base-Base interactions energy: -147.724
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.020
local terms energy: -73.696475
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -219.693468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.693468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.693468 (E_RNA)
where:
Base-Base interactions energy: -148.867
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.002
local terms energy: -70.825075
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -182.048503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.048503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.048503 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.067
local terms energy: -63.214981
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.399
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: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -212.571553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.571553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.571553 (E_RNA)
where:
Base-Base interactions energy: -138.876
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.150
local terms energy: -73.545632
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -141.791905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.791905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.791905 (E_RNA)
where:
Base-Base interactions energy: -80.072
where: short stacking energy: -45.220
Base-Backbone interact. energy: -0.287
local terms energy: -61.432717
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -94.704617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.704617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.704617 (E_RNA)
where:
Base-Base interactions energy: -39.279
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.131
local terms energy: -55.294315
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -87.867105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867105 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -33.079
Base-Backbone interact. energy: -0.107
local terms energy: -54.681505
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.071355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.071355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.071355 (E_RNA)
where:
Base-Base interactions energy: -27.607
where: short stacking energy: -22.482
Base-Backbone interact. energy: -0.110
local terms energy: -53.354850
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -11.464
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: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -85.557909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557909 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.068
local terms energy: -46.117262
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -225.963476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.963476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.963476 (E_RNA)
where:
Base-Base interactions energy: -148.807
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.178
local terms energy: -76.978474
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -21.485
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: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -228.282594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.282594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.282594 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -71.712
Base-Backbone interact. energy: -0.001
local terms energy: -80.264827
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -22.161
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: 466
Temperature: 1.000000
Total energy: -223.191674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.191674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.191674 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.232
local terms energy: -80.243959
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -184.651238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.651238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.651238 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.070
local terms energy: -72.903217
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -211.831188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.831188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.831188 (E_RNA)
where:
Base-Base interactions energy: -140.205
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.079
local terms energy: -71.547273
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -137.059143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.059143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.059143 (E_RNA)
where:
Base-Base interactions energy: -79.041
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.101
local terms energy: -57.917484
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -84.654869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654869 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.247
local terms energy: -42.649582
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -91.325170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325170 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -30.310
Base-Backbone interact. energy: 0.644
local terms energy: -50.059300
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -90.023962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.023962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.023962 (E_RNA)
where:
Base-Base interactions energy: -42.080
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.158
local terms energy: -47.785979
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -73.085827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.085827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.085827 (E_RNA)
where:
Base-Base interactions energy: -27.320
where: short stacking energy: -23.337
Base-Backbone interact. energy: -0.177
local terms energy: -45.589087
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -225.526207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.526207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.526207 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.916
local terms energy: -72.770156
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -21.003
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -222.632972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.632972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.632972 (E_RNA)
where:
Base-Base interactions energy: -142.166
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.012
local terms energy: -80.455150
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -221.570869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.570869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.570869 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.152
local terms energy: -78.008333
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -224.648005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.648005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.648005 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.002
local terms energy: -76.712261
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -177.222662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.222662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222662 (E_RNA)
where:
Base-Base interactions energy: -108.247
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.070
local terms energy: -68.905649
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -15.649
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -127.818666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.818666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.818666 (E_RNA)
where:
Base-Base interactions energy: -79.601
where: short stacking energy: -35.255
Base-Backbone interact. energy: -0.101
local terms energy: -48.116734
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.647
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: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -119.159702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.159702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.159702 (E_RNA)
where:
Base-Base interactions energy: -60.229
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.081
local terms energy: -58.849559
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -107.664727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.664727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.664727 (E_RNA)
where:
Base-Base interactions energy: -62.594
where: short stacking energy: -22.931
Base-Backbone interact. energy: -0.287
local terms energy: -44.783560
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -79.057436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057436 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.297
local terms energy: -46.886205
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -73.308545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.308545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.308545 (E_RNA)
where:
Base-Base interactions energy: -27.239
where: short stacking energy: -23.251
Base-Backbone interact. energy: 0.422
local terms energy: -46.491818
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -227.651120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.651120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.651120 (E_RNA)
where:
Base-Base interactions energy: -147.564
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.042
local terms energy: -80.045474
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -20.558
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: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -223.536424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.536424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.536424 (E_RNA)
where:
Base-Base interactions energy: -153.192
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.257
local terms energy: -70.088101
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -214.682151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.682151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.682151 (E_RNA)
where:
Base-Base interactions energy: -144.879
where: short stacking energy: -71.269
Base-Backbone interact. energy: -0.003
local terms energy: -69.800262
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -6.030
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -220.885550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.885550 (E_RNA)
where:
Base-Base interactions energy: -151.258
where: short stacking energy: -74.065
Base-Backbone interact. energy: -0.303
local terms energy: -69.324505
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -20.160
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -191.989101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.989101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.989101 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.028
local terms energy: -56.438957
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -134.007838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.007838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.007838 (E_RNA)
where:
Base-Base interactions energy: -80.987
where: short stacking energy: -37.359
Base-Backbone interact. energy: -1.675
local terms energy: -51.345811
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -87.619120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.619120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.619120 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.008
local terms energy: -50.998486
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -114.824086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.824086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.824086 (E_RNA)
where:
Base-Base interactions energy: -58.871
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.870
local terms energy: -55.083042
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -91.351155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351155 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -31.334
Base-Backbone interact. energy: -1.476
local terms energy: -52.934610
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -7.296
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -69.201561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.201561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.201561 (E_RNA)
where:
Base-Base interactions energy: -27.225
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.028
local terms energy: -41.948438
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 2.262
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: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -227.087054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.087054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.087054 (E_RNA)
where:
Base-Base interactions energy: -150.283
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.260
local terms energy: -76.543693
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -215.149387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.149387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.149387 (E_RNA)
where:
Base-Base interactions energy: -144.673
where: short stacking energy: -72.777
Base-Backbone interact. energy: -1.009
local terms energy: -69.468081
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -209.246573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.246573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246573 (E_RNA)
where:
Base-Base interactions energy: -141.791
where: short stacking energy: -76.208
Base-Backbone interact. energy: -0.041
local terms energy: -67.413984
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -227.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833272 (E_RNA)
where:
Base-Base interactions energy: -156.965
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.018
local terms energy: -70.849795
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -180.688682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.688682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.688682 (E_RNA)
where:
Base-Base interactions energy: -118.982
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.104
local terms energy: -61.603025
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.520
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: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -160.593859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.593859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.593859 (E_RNA)
where:
Base-Base interactions energy: -93.807
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.096
local terms energy: -66.690463
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -92.400986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.400986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.400986 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -33.928
Base-Backbone interact. energy: 1.193
local terms energy: -48.901146
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -0.946
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: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -100.752684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.752684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.752684 (E_RNA)
where:
Base-Base interactions energy: -52.036
where: short stacking energy: -24.731
Base-Backbone interact. energy: -0.242
local terms energy: -48.474404
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -82.531455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.531455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.531455 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -29.448
Base-Backbone interact. energy: 5.288
local terms energy: -51.211200
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -4.431
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: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -92.223919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.223919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.223919 (E_RNA)
where:
Base-Base interactions energy: -45.562
where: short stacking energy: -26.625
Base-Backbone interact. energy: -0.074
local terms energy: -46.588657
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.743
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: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -225.289717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.289717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.289717 (E_RNA)
where:
Base-Base interactions energy: -147.250
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.349
local terms energy: -77.690202
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -223.836648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.836648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.836648 (E_RNA)
where:
Base-Base interactions energy: -154.308
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.230
local terms energy: -69.298219
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -20.948
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: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -221.015871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.015871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.015871 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.034
local terms energy: -71.789617
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -212.033552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.033552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.033552 (E_RNA)
where:
Base-Base interactions energy: -132.609
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.098
local terms energy: -79.326569
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -171.959464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.959464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.959464 (E_RNA)
where:
Base-Base interactions energy: -102.999
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.012
local terms energy: -68.948483
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -179.937690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.937690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.937690 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -47.211
Base-Backbone interact. energy: -0.106
local terms energy: -62.959274
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -3.944
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: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -113.956601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.956601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.956601 (E_RNA)
where:
Base-Base interactions energy: -65.451
where: short stacking energy: -40.659
Base-Backbone interact. energy: 0.827
local terms energy: -49.333225
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -7.924
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: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -117.251875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.251875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.251875 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -40.986
Base-Backbone interact. energy: -0.113
local terms energy: -55.552405
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -81.299709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.299709 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -36.933
Base-Backbone interact. energy: 0.902
local terms energy: -45.468121
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -8.368
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -5.800
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.067628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.067628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.067628 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.065
local terms energy: -46.070116
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -9.187
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -5.085
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: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -228.470486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470486 (E_RNA)
where:
Base-Base interactions energy: -150.701
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.312
local terms energy: -77.457327
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -7.704
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: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -228.849631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.849631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.849631 (E_RNA)
where:
Base-Base interactions energy: -155.166
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.611
local terms energy: -73.072583
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -219.029299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029299 (E_RNA)
where:
Base-Base interactions energy: -148.703
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.025
local terms energy: -70.302127
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.206
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: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -174.692128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.692128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.692128 (E_RNA)
where:
Base-Base interactions energy: -112.659
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.013
local terms energy: -62.019626
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -208.584274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.584274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.584274 (E_RNA)
where:
Base-Base interactions energy: -132.399
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.000
local terms energy: -76.184762
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -173.266466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.266466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.266466 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.200
local terms energy: -55.510813
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -90.283943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283943 (E_RNA)
where:
Base-Base interactions energy: -36.468
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.625
local terms energy: -53.191008
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -3.234
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: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -93.844151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.844151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.844151 (E_RNA)
where:
Base-Base interactions energy: -43.677
where: short stacking energy: -43.677
Base-Backbone interact. energy: -0.122
local terms energy: -50.044695
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -102.420986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.420986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.420986 (E_RNA)
where:
Base-Base interactions energy: -47.046
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.116
local terms energy: -55.259020
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -76.972640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.972640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.972640 (E_RNA)
where:
Base-Base interactions energy: -26.535
where: short stacking energy: -23.268
Base-Backbone interact. energy: -0.391
local terms energy: -50.046519
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -227.634491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.634491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.634491 (E_RNA)
where:
Base-Base interactions energy: -148.875
where: short stacking energy: -71.202
Base-Backbone interact. energy: -0.001
local terms energy: -78.758287
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -23.626
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: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -224.637159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.637159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.637159 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -73.229
Base-Backbone interact. energy: 0.328
local terms energy: -67.330053
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -221.043924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.043924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.043924 (E_RNA)
where:
Base-Base interactions energy: -147.745
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.001
local terms energy: -73.297991
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.467
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: 472
Temperature: 1.050000
Total energy: -162.799845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.799845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.799845 (E_RNA)
where:
Base-Base interactions energy: -99.154
where: short stacking energy: -56.333
Base-Backbone interact. energy: -0.720
local terms energy: -62.925659
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -9.391
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: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -206.101515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.101515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.101515 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.025
local terms energy: -65.861566
where:
bonds (distance) C4'-P energy: -6.987
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -181.806493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.806493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.806493 (E_RNA)
where:
Base-Base interactions energy: -123.469
where: short stacking energy: -50.739
Base-Backbone interact. energy: -0.942
local terms energy: -57.395198
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -99.585198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.585198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.585198 (E_RNA)
where:
Base-Base interactions energy: -37.898
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.162
local terms energy: -61.525470
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -7.059
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: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -84.744946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744946 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -35.089
Base-Backbone interact. energy: 0.316
local terms energy: -49.971721
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.840170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.840170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.840170 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.355
local terms energy: -39.785441
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -7.347
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: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -83.249629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.249629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.249629 (E_RNA)
where:
Base-Base interactions energy: -31.736
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.020
local terms energy: -51.493246
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -7.026
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -228.976200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.976200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.976200 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.012
local terms energy: -76.680837
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -226.063278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063278 (E_RNA)
where:
Base-Base interactions energy: -148.466
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.079
local terms energy: -77.518729
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -211.990689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990689 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.004
local terms energy: -72.872913
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -207.760152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.760152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.760152 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.245
local terms energy: -70.880210
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -138.861219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.861219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.861219 (E_RNA)
where:
Base-Base interactions energy: -85.678
where: short stacking energy: -40.414
Base-Backbone interact. energy: -0.076
local terms energy: -53.106621
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.794
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: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -104.949970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.949970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.949970 (E_RNA)
where:
Base-Base interactions energy: -51.689
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.224
local terms energy: -53.036116
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -7.634
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: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -170.095781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.095781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.095781 (E_RNA)
where:
Base-Base interactions energy: -105.995
where: short stacking energy: -46.078
Base-Backbone interact. energy: -0.014
local terms energy: -64.086624
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -106.631544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.631544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.631544 (E_RNA)
where:
Base-Base interactions energy: -57.235
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.057
local terms energy: -49.339812
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -86.510226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510226 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -29.212
Base-Backbone interact. energy: -0.028
local terms energy: -50.658626
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -4.433
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: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -82.585879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585879 (E_RNA)
where:
Base-Base interactions energy: -38.024
where: short stacking energy: -22.035
Base-Backbone interact. energy: 0.039
local terms energy: -44.600205
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -227.998017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.998017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.998017 (E_RNA)
where:
Base-Base interactions energy: -147.732
where: short stacking energy: -70.020
Base-Backbone interact. energy: -0.126
local terms energy: -80.139881
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -229.691857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.691857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.691857 (E_RNA)
where:
Base-Base interactions energy: -146.557
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.064
local terms energy: -83.070483
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -225.908716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.908716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.908716 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -69.159
Base-Backbone interact. energy: -0.098
local terms energy: -78.959572
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -219.890696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890696 (E_RNA)
where:
Base-Base interactions energy: -147.344
where: short stacking energy: -74.530
Base-Backbone interact. energy: -0.000
local terms energy: -72.546912
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -155.421176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.421176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.421176 (E_RNA)
where:
Base-Base interactions energy: -90.183
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.088
local terms energy: -65.150568
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -107.078505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.078505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.078505 (E_RNA)
where:
Base-Base interactions energy: -48.165
where: short stacking energy: -45.594
Base-Backbone interact. energy: 0.068
local terms energy: -58.981469
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -178.678762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.678762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.678762 (E_RNA)
where:
Base-Base interactions energy: -127.215
where: short stacking energy: -54.532
Base-Backbone interact. energy: -2.995
local terms energy: -48.469310
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -13.605
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: 474
Temperature: 1.250000
Total energy: -89.823681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823681 (E_RNA)
where:
Base-Base interactions energy: -34.974
where: short stacking energy: -34.894
Base-Backbone interact. energy: -0.804
local terms energy: -54.045027
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -80.219893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.219893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.219893 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -22.254
Base-Backbone interact. energy: -0.331
local terms energy: -52.389360
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.279747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.279747 (E_RNA)
where:
Base-Base interactions energy: -28.497
where: short stacking energy: -28.497
Base-Backbone interact. energy: -0.115
local terms energy: -45.668473
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -8.776
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: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -229.339486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.339486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.339486 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.009
local terms energy: -80.587075
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -21.051
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: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -218.595718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.595718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.595718 (E_RNA)
where:
Base-Base interactions energy: -147.719
where: short stacking energy: -74.248
Base-Backbone interact. energy: -0.414
local terms energy: -70.462201
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.842
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: 475
Temperature: 1.000000
Total energy: -223.502984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.502984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.502984 (E_RNA)
where:
Base-Base interactions energy: -143.921
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.291
local terms energy: -79.290292
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -223.516774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.516774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.516774 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.051
local terms energy: -74.789625
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -22.811
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: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -149.736292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.736292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.736292 (E_RNA)
where:
Base-Base interactions energy: -83.934
where: short stacking energy: -46.418
Base-Backbone interact. energy: -0.050
local terms energy: -65.751680
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -181.160128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.160128 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.002
local terms energy: -67.588561
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -101.596943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.596943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.596943 (E_RNA)
where:
Base-Base interactions energy: -49.423
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.299
local terms energy: -51.874874
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -123.934217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.934217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.934217 (E_RNA)
where:
Base-Base interactions energy: -72.819
where: short stacking energy: -32.863
Base-Backbone interact. energy: 0.353
local terms energy: -51.468158
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -3.937
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: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -83.649293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649293 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.130
local terms energy: -49.522257
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.851
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: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -80.442027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442027 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -21.088
Base-Backbone interact. energy: -0.136
local terms energy: -45.399881
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -229.856325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.856325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.856325 (E_RNA)
where:
Base-Base interactions energy: -151.710
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.125
local terms energy: -78.021212
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -212.128563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.128563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.128563 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.039
local terms energy: -74.480679
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.332
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -213.927786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.927786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.927786 (E_RNA)
where:
Base-Base interactions energy: -143.567
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.010
local terms energy: -70.351469
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.261
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: 476
Temperature: 1.050000
Total energy: -221.590845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590845 (E_RNA)
where:
Base-Base interactions energy: -152.958
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.135
local terms energy: -68.498037
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -207.567623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.567623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.567623 (E_RNA)
where:
Base-Base interactions energy: -142.437
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.103
local terms energy: -65.027571
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -3.835
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: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -143.440228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.440228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.440228 (E_RNA)
where:
Base-Base interactions energy: -82.812
where: short stacking energy: -47.953
Base-Backbone interact. energy: 0.959
local terms energy: -61.586890
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.267
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -142.641655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.641655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.641655 (E_RNA)
where:
Base-Base interactions energy: -87.493
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.036
local terms energy: -55.111764
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -88.699238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699238 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -23.898
Base-Backbone interact. energy: 1.946
local terms energy: -50.511606
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.239788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.239788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.239788 (E_RNA)
where:
Base-Base interactions energy: -26.357
where: short stacking energy: -25.386
Base-Backbone interact. energy: 0.087
local terms energy: -57.970123
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -83.877873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.877873 (E_RNA)
where:
Base-Base interactions energy: -40.018
where: short stacking energy: -35.149
Base-Backbone interact. energy: 0.952
local terms energy: -44.812184
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -230.892196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.892196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.892196 (E_RNA)
where:
Base-Base interactions energy: -147.342
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.187
local terms energy: -83.362786
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -221.768170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.768170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.768170 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.002
local terms energy: -74.407042
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -222.176240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.176240 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -74.508
Base-Backbone interact. energy: -0.049
local terms energy: -73.239864
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -208.591422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.591422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.591422 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -61.855
Base-Backbone interact. energy: 0.343
local terms energy: -63.385162
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -16.943
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -210.612873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.612873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.612873 (E_RNA)
where:
Base-Base interactions energy: -144.355
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.627
local terms energy: -65.630828
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -131.482785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.482785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.482785 (E_RNA)
where:
Base-Base interactions energy: -69.091
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.201
local terms energy: -62.190653
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -132.132776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.132776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.132776 (E_RNA)
where:
Base-Base interactions energy: -75.709
where: short stacking energy: -39.011
Base-Backbone interact. energy: 1.437
local terms energy: -57.861276
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -11.518
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: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -82.505076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.505076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.505076 (E_RNA)
where:
Base-Base interactions energy: -37.181
where: short stacking energy: -35.801
Base-Backbone interact. energy: -0.493
local terms energy: -44.831051
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -9.254
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -82.582227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582227 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -27.759
Base-Backbone interact. energy: 1.801
local terms energy: -56.624591
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -68.113781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.113781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.113781 (E_RNA)
where:
Base-Base interactions energy: -21.508
where: short stacking energy: -13.997
Base-Backbone interact. energy: -0.302
local terms energy: -46.303646
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: 4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -227.007068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.007068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.007068 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -67.051
Base-Backbone interact. energy: 0.377
local terms energy: -70.687397
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -10.433
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: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -224.634705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.634705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.634705 (E_RNA)
where:
Base-Base interactions energy: -156.591
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.001
local terms energy: -68.043059
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -208.864477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.864477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.864477 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.569
local terms energy: -77.890985
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -218.189105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.189105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.189105 (E_RNA)
where:
Base-Base interactions energy: -139.851
where: short stacking energy: -70.985
Base-Backbone interact. energy: 0.287
local terms energy: -78.625784
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -214.665250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.665250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.665250 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.397
local terms energy: -67.754488
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -127.801935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.801935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.801935 (E_RNA)
where:
Base-Base interactions energy: -90.807
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.089
local terms energy: -36.906010
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -1.955
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -9.196
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: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -128.426108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.426108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.426108 (E_RNA)
where:
Base-Base interactions energy: -76.132
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.792
local terms energy: -51.501886
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -83.207249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.207249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.207249 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -22.361
Base-Backbone interact. energy: -0.134
local terms energy: -47.613977
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -89.904109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.904109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.904109 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.355
local terms energy: -49.896214
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -68.216596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.216596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.216596 (E_RNA)
where:
Base-Base interactions energy: -22.855
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.759
local terms energy: -44.602516
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -231.346010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.346010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.346010 (E_RNA)
where:
Base-Base interactions energy: -148.380
where: short stacking energy: -75.372
Base-Backbone interact. energy: -0.004
local terms energy: -82.961719
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -22.792
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: 479
Temperature: 0.950000
Total energy: -213.646276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.646276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.646276 (E_RNA)
where:
Base-Base interactions energy: -138.170
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.001
local terms energy: -75.474750
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -225.304059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.304059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304059 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.619
local terms energy: -80.153175
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -22.698
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: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -215.348369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.348369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.348369 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.160
local terms energy: -75.291619
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.785
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: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -216.803227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.803227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.803227 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.662
local terms energy: -74.943674
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -21.923
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: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -108.275033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.275033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.275033 (E_RNA)
where:
Base-Base interactions energy: -55.563
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.210
local terms energy: -52.501820
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -137.827488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.827488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.827488 (E_RNA)
where:
Base-Base interactions energy: -73.755
where: short stacking energy: -39.770
Base-Backbone interact. energy: -1.329
local terms energy: -62.743139
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -95.204258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.204258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.204258 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.011
local terms energy: -54.869408
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.281
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: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -109.420105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.420105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.420105 (E_RNA)
where:
Base-Base interactions energy: -63.468
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.899
local terms energy: -45.052854
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: 2.928
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: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -87.126197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126197 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -16.846
Base-Backbone interact. energy: -0.454
local terms energy: -52.942564
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -234.764813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.764813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.764813 (E_RNA)
where:
Base-Base interactions energy: -154.002
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.021
local terms energy: -80.740987
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -197.282005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.282005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.282005 (E_RNA)
where:
Base-Base interactions energy: -129.850
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.126
local terms energy: -67.306349
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -223.409000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409000 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -79.251
Base-Backbone interact. energy: -0.000
local terms energy: -78.351351
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -23.529
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: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -208.927548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.927548 (E_RNA)
where:
Base-Base interactions energy: -138.176
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.009
local terms energy: -70.742180
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -201.702789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.702789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.702789 (E_RNA)
where:
Base-Base interactions energy: -134.313
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.103
local terms energy: -67.287519
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -21.119
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: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -102.301990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.301990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.301990 (E_RNA)
where:
Base-Base interactions energy: -52.494
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.959
local terms energy: -48.848977
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.109
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: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -125.952738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.952738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.952738 (E_RNA)
where:
Base-Base interactions energy: -79.203
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.082
local terms energy: -46.666989
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -91.627988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.627988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.627988 (E_RNA)
where:
Base-Base interactions energy: -34.615
where: short stacking energy: -32.875
Base-Backbone interact. energy: -0.064
local terms energy: -56.948919
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -128.668236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.668236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.668236 (E_RNA)
where:
Base-Base interactions energy: -71.270
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.181
local terms energy: -57.216776
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.200
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: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -80.699372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699372 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.472
local terms energy: -47.090956
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -225.579971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579971 (E_RNA)
where:
Base-Base interactions energy: -149.122
where: short stacking energy: -73.358
Base-Backbone interact. energy: -1.249
local terms energy: -75.209265
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -221.882613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.882613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.882613 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -68.155
Base-Backbone interact. energy: -0.003
local terms energy: -76.348997
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -191.247610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.247610 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.095
local terms energy: -63.709250
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -183.232045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.232045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.232045 (E_RNA)
where:
Base-Base interactions energy: -119.619
where: short stacking energy: -54.865
Base-Backbone interact. energy: -0.357
local terms energy: -63.255746
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -221.938326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.938326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.938326 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.047
local terms energy: -78.908205
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -138.085178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.085178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.085178 (E_RNA)
where:
Base-Base interactions energy: -76.015
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.065
local terms energy: -62.004799
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -115.253969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.253969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.253969 (E_RNA)
where:
Base-Base interactions energy: -62.296
where: short stacking energy: -32.623
Base-Backbone interact. energy: -0.770
local terms energy: -52.187574
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -133.522032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.522032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.522032 (E_RNA)
where:
Base-Base interactions energy: -74.410
where: short stacking energy: -39.596
Base-Backbone interact. energy: 0.319
local terms energy: -59.431445
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -9.608
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: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -78.633849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.633849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.633849 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -32.900
Base-Backbone interact. energy: 0.697
local terms energy: -44.015749
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -2.486
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -4.452
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: 481
Temperature: 1.350000
Total energy: -80.605272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.605272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.605272 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -27.160
Base-Backbone interact. energy: 0.975
local terms energy: -51.455066
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -241.132451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.132451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.132451 (E_RNA)
where:
Base-Base interactions energy: -161.060
where: short stacking energy: -77.278
Base-Backbone interact. energy: -0.462
local terms energy: -79.611360
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -223.800413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800413 (E_RNA)
where:
Base-Base interactions energy: -148.135
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.066
local terms energy: -75.599582
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -186.563665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.563665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.563665 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.019
local terms energy: -69.525085
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.915
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: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -189.686900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.686900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.686900 (E_RNA)
where:
Base-Base interactions energy: -123.858
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.058
local terms energy: -65.770948
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.199
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: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -218.229378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.229378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.229378 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.727
local terms energy: -73.484359
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -139.557765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.557765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.557765 (E_RNA)
where:
Base-Base interactions energy: -86.540
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.797
local terms energy: -52.220107
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -143.487305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.487305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.487305 (E_RNA)
where:
Base-Base interactions energy: -86.717
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.060
local terms energy: -56.710522
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.731
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: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -107.598746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.598746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.598746 (E_RNA)
where:
Base-Base interactions energy: -60.008
where: short stacking energy: -39.020
Base-Backbone interact. energy: -0.172
local terms energy: -47.418938
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -82.995827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995827 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.044
local terms energy: -52.570539
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -77.998809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.998809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.998809 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.104
local terms energy: -43.978071
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -230.632759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.632759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.632759 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.015
local terms energy: -79.358058
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -224.850221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.850221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.850221 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.006
local terms energy: -77.673513
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -190.103990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.103990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.103990 (E_RNA)
where:
Base-Base interactions energy: -120.908
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.003
local terms energy: -69.192760
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -12.036
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -219.219994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.219994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.219994 (E_RNA)
where:
Base-Base interactions energy: -145.881
where: short stacking energy: -76.228
Base-Backbone interact. energy: -0.009
local terms energy: -73.329334
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -197.504927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.504927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.504927 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.044
local terms energy: -73.065046
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -146.815191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.815191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.815191 (E_RNA)
where:
Base-Base interactions energy: -78.386
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.298
local terms energy: -68.130887
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -128.286116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.286116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.286116 (E_RNA)
where:
Base-Base interactions energy: -72.785
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.468
local terms energy: -55.032910
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -82.518540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.518540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.518540 (E_RNA)
where:
Base-Base interactions energy: -30.184
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.033
local terms energy: -52.300678
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -72.055891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.055891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.055891 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -26.391
Base-Backbone interact. energy: -0.905
local terms energy: -43.186310
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -84.439242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439242 (E_RNA)
where:
Base-Base interactions energy: -45.324
where: short stacking energy: -14.636
Base-Backbone interact. energy: -0.182
local terms energy: -38.932672
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: 5.109
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: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -232.494018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.494018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.494018 (E_RNA)
where:
Base-Base interactions energy: -150.979
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.089
local terms energy: -81.426153
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.432
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: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -237.486494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.486494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.486494 (E_RNA)
where:
Base-Base interactions energy: -152.613
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.001
local terms energy: -84.871993
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -221.903058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.903058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.903058 (E_RNA)
where:
Base-Base interactions energy: -145.048
where: short stacking energy: -77.226
Base-Backbone interact. energy: -0.019
local terms energy: -76.836255
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -182.461098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461098 (E_RNA)
where:
Base-Base interactions energy: -113.625
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.025
local terms energy: -68.810954
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -202.623047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.623047 (E_RNA)
where:
Base-Base interactions energy: -130.350
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.054
local terms energy: -72.219478
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -136.354845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.354845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.354845 (E_RNA)
where:
Base-Base interactions energy: -75.750
where: short stacking energy: -45.855
Base-Backbone interact. energy: -0.344
local terms energy: -60.260880
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -133.491896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.491896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.491896 (E_RNA)
where:
Base-Base interactions energy: -83.603
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.489
local terms energy: -49.399882
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -142.355232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.355232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.355232 (E_RNA)
where:
Base-Base interactions energy: -91.284
where: short stacking energy: -42.484
Base-Backbone interact. energy: -0.920
local terms energy: -50.151191
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -6.152
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: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -79.252456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.252456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.252456 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -18.876
Base-Backbone interact. energy: -0.189
local terms energy: -46.260393
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.721
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: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -75.552447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.552447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.552447 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -32.772
Base-Backbone interact. energy: -0.824
local terms energy: -41.760662
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -226.189186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.189186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.189186 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.000
local terms energy: -77.032243
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -228.052112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052112 (E_RNA)
where:
Base-Base interactions energy: -151.764
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.001
local terms energy: -76.287159
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -21.888
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: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -226.470891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.470891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.470891 (E_RNA)
where:
Base-Base interactions energy: -152.104
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.594
local terms energy: -73.772756
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -202.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902366 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.851
local terms energy: -73.466898
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -181.868016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868016 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.062
local terms energy: -65.588299
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -147.298940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.298940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.298940 (E_RNA)
where:
Base-Base interactions energy: -81.538
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.062
local terms energy: -65.698948
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -136.759290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.759290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.759290 (E_RNA)
where:
Base-Base interactions energy: -74.742
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.015
local terms energy: -62.003017
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -134.810861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.810861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.810861 (E_RNA)
where:
Base-Base interactions energy: -86.412
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.699
local terms energy: -47.700092
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -3.187
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: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -84.074392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.074392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.074392 (E_RNA)
where:
Base-Base interactions energy: -36.589
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.788
local terms energy: -46.696872
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.423
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: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.287893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.287893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.287893 (E_RNA)
where:
Base-Base interactions energy: -18.372
where: short stacking energy: -18.372
Base-Backbone interact. energy: -1.582
local terms energy: -55.333027
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -220.794788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.794788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.794788 (E_RNA)
where:
Base-Base interactions energy: -152.249
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.289
local terms energy: -68.256727
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -227.778978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.778978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.778978 (E_RNA)
where:
Base-Base interactions energy: -152.301
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.000
local terms energy: -75.477915
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -219.287881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.287881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.287881 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.043
local terms energy: -72.561910
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -21.295
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: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -194.018051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.018051 (E_RNA)
where:
Base-Base interactions energy: -127.102
where: short stacking energy: -51.284
Base-Backbone interact. energy: 0.215
local terms energy: -67.130991
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -154.735673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.735673 (E_RNA)
where:
Base-Base interactions energy: -94.572
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.107
local terms energy: -60.057215
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -186.087597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.087597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.087597 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -56.674
Base-Backbone interact. energy: -0.004
local terms energy: -67.810955
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -127.899033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.899033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.899033 (E_RNA)
where:
Base-Base interactions energy: -76.927
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.579
local terms energy: -50.392945
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -82.823031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823031 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.644
local terms energy: -44.705795
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -99.052889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.052889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.052889 (E_RNA)
where:
Base-Base interactions energy: -48.337
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.050
local terms energy: -50.665946
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -81.121718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.121718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.121718 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.126
local terms energy: -51.933793
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -230.546616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.546616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.546616 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.134
local terms energy: -83.074655
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -230.274907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.274907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.274907 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.002
local terms energy: -77.595305
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -12.393
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: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -222.659309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.659309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.659309 (E_RNA)
where:
Base-Base interactions energy: -143.331
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.001
local terms energy: -79.327552
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -218.817082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.817082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.817082 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -67.317
Base-Backbone interact. energy: -0.005
local terms energy: -77.426244
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -18.703
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: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -157.247064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.247064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.247064 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.043
local terms energy: -50.265343
where:
bonds (distance) C4'-P energy: -6.439
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -140.901487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.901487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.901487 (E_RNA)
where:
Base-Base interactions energy: -86.605
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.208
local terms energy: -54.088600
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -165.138829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.138829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.138829 (E_RNA)
where:
Base-Base interactions energy: -100.304
where: short stacking energy: -41.905
Base-Backbone interact. energy: -0.027
local terms energy: -64.807730
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -98.215496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.215496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.215496 (E_RNA)
where:
Base-Base interactions energy: -46.168
where: short stacking energy: -29.835
Base-Backbone interact. energy: 0.714
local terms energy: -52.761075
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -84.984827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.984827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.984827 (E_RNA)
where:
Base-Base interactions energy: -47.285
where: short stacking energy: -19.535
Base-Backbone interact. energy: -0.244
local terms energy: -37.455713
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -5.411
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: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -75.568378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.568378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.568378 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -27.102
Base-Backbone interact. energy: 0.089
local terms energy: -43.390910
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -4.598
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -229.964919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.964919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.964919 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.170
local terms energy: -74.067230
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -228.931723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.931723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.931723 (E_RNA)
where:
Base-Base interactions energy: -150.079
where: short stacking energy: -68.181
Base-Backbone interact. energy: -0.044
local terms energy: -78.808567
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -226.608796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.608796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.608796 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -73.503
Base-Backbone interact. energy: 0.715
local terms energy: -80.637520
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -222.820505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820505 (E_RNA)
where:
Base-Base interactions energy: -148.078
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.260
local terms energy: -74.482155
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.043797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043797 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.006
local terms energy: -73.111782
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -95.764806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.764806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.764806 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.122
local terms energy: -56.841668
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -179.275125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.275125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275125 (E_RNA)
where:
Base-Base interactions energy: -112.588
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.075
local terms energy: -66.611487
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -101.313323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.313323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.313323 (E_RNA)
where:
Base-Base interactions energy: -54.174
where: short stacking energy: -33.491
Base-Backbone interact. energy: -0.386
local terms energy: -46.753471
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -8.714
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: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -84.022689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022689 (E_RNA)
where:
Base-Base interactions energy: -27.354
where: short stacking energy: -24.880
Base-Backbone interact. energy: -0.870
local terms energy: -55.798506
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -8.770
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: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -78.857806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.857806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.857806 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -23.084
Base-Backbone interact. energy: -0.174
local terms energy: -41.883574
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -1.896
tors. eta vs tors. theta energy: 0.781
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: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -229.451737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.451737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.451737 (E_RNA)
where:
Base-Base interactions energy: -153.633
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.003
local terms energy: -75.816492
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -233.982093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.982093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.982093 (E_RNA)
where:
Base-Base interactions energy: -151.076
where: short stacking energy: -72.381
Base-Backbone interact. energy: 0.973
local terms energy: -83.879377
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -214.825919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.825919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.825919 (E_RNA)
where:
Base-Base interactions energy: -143.987
where: short stacking energy: -73.656
Base-Backbone interact. energy: -0.001
local terms energy: -70.838017
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -215.577632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.577632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.577632 (E_RNA)
where:
Base-Base interactions energy: -140.848
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.003
local terms energy: -74.726025
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -152.127198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.127198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.127198 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -50.803
Base-Backbone interact. energy: 1.631
local terms energy: -59.873241
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -177.004799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.004799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.004799 (E_RNA)
where:
Base-Base interactions energy: -112.320
where: short stacking energy: -60.150
Base-Backbone interact. energy: 0.756
local terms energy: -65.440674
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -17.359
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: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -92.057255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.057255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.057255 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.494
local terms energy: -46.859564
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.286
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: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -96.109272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.109272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.109272 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.302
local terms energy: -58.630719
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -85.605529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.605529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.605529 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -35.898
Base-Backbone interact. energy: -0.043
local terms energy: -46.561135
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -75.987308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.987308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.987308 (E_RNA)
where:
Base-Base interactions energy: -21.992
where: short stacking energy: -17.464
Base-Backbone interact. energy: -0.193
local terms energy: -53.802001
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -228.883591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.883591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.883591 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.694
local terms energy: -73.985409
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -19.865
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: 490
Temperature: 0.950000
Total energy: -231.290310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.290310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.290310 (E_RNA)
where:
Base-Base interactions energy: -146.769
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.021
local terms energy: -84.500619
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -217.757285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.757285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.757285 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -65.916
Base-Backbone interact. energy: -0.055
local terms energy: -74.669349
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -200.083601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.083601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.083601 (E_RNA)
where:
Base-Base interactions energy: -125.014
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.707
local terms energy: -74.362491
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -177.236444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.236444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.236444 (E_RNA)
where:
Base-Base interactions energy: -117.797
where: short stacking energy: -57.212
Base-Backbone interact. energy: 5.331
local terms energy: -64.769730
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -143.837321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.837321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.837321 (E_RNA)
where:
Base-Base interactions energy: -87.140
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.197
local terms energy: -56.500030
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -94.789720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789720 (E_RNA)
where:
Base-Base interactions energy: -36.247
where: short stacking energy: -34.664
Base-Backbone interact. energy: 0.117
local terms energy: -58.659775
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -5.671
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: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -84.814378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814378 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -26.306
Base-Backbone interact. energy: -0.097
local terms energy: -48.172326
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -85.212989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212989 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -18.600
Base-Backbone interact. energy: 0.822
local terms energy: -53.932576
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -0.946
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: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -70.809012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.809012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.809012 (E_RNA)
where:
Base-Base interactions energy: -26.478
where: short stacking energy: -22.903
Base-Backbone interact. energy: -0.079
local terms energy: -44.252140
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -235.077365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.077365 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.741
local terms energy: -82.109191
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -233.538733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.538733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.538733 (E_RNA)
where:
Base-Base interactions energy: -155.992
where: short stacking energy: -78.349
Base-Backbone interact. energy: -0.000
local terms energy: -77.546702
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -21.397
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: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -216.133207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.133207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.133207 (E_RNA)
where:
Base-Base interactions energy: -140.551
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.000
local terms energy: -75.581845
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -219.907060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.907060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.907060 (E_RNA)
where:
Base-Base interactions energy: -146.871
where: short stacking energy: -71.987
Base-Backbone interact. energy: 0.147
local terms energy: -73.182915
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -161.770371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.770371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.770371 (E_RNA)
where:
Base-Base interactions energy: -105.655
where: short stacking energy: -45.928
Base-Backbone interact. energy: -0.163
local terms energy: -55.952519
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -140.980713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.980713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.980713 (E_RNA)
where:
Base-Base interactions energy: -88.200
where: short stacking energy: -39.689
Base-Backbone interact. energy: -0.397
local terms energy: -52.383670
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -88.811365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.811365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.811365 (E_RNA)
where:
Base-Base interactions energy: -37.957
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.076
local terms energy: -50.778536
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -87.897604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.897604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.897604 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.097
local terms energy: -52.286824
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -7.280
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: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.584836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.584836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.584836 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.266
local terms energy: -50.763216
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -5.559
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: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -74.052714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.052714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.052714 (E_RNA)
where:
Base-Base interactions energy: -28.628
where: short stacking energy: -25.028
Base-Backbone interact. energy: -1.687
local terms energy: -43.737737
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -224.650697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.650697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.650697 (E_RNA)
where:
Base-Base interactions energy: -144.982
where: short stacking energy: -72.819
Base-Backbone interact. energy: -0.024
local terms energy: -79.645445
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -22.608
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: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -228.129860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.129860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.129860 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -76.752
Base-Backbone interact. energy: -0.014
local terms energy: -72.522221
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -226.098433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.098433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.098433 (E_RNA)
where:
Base-Base interactions energy: -149.177
where: short stacking energy: -69.797
Base-Backbone interact. energy: -0.081
local terms energy: -76.840629
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -215.778956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.778956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.778956 (E_RNA)
where:
Base-Base interactions energy: -139.915
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.004
local terms energy: -75.859747
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -150.368936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.368936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.368936 (E_RNA)
where:
Base-Base interactions energy: -97.181
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.374
local terms energy: -52.813939
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -168.852212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852212 (E_RNA)
where:
Base-Base interactions energy: -109.062
where: short stacking energy: -49.353
Base-Backbone interact. energy: -0.004
local terms energy: -59.785968
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -94.506017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.506017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.506017 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -33.480
Base-Backbone interact. energy: -1.465
local terms energy: -53.503365
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -76.612125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.612125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.612125 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.111
local terms energy: -47.922466
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -79.224051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.224051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.224051 (E_RNA)
where:
Base-Base interactions energy: -29.091
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.009
local terms energy: -50.123971
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -7.001
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: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -76.896279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.896279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.896279 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.119
local terms energy: -41.907337
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -5.651
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: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -225.469962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.469962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.469962 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -77.754
Base-Backbone interact. energy: -0.002
local terms energy: -80.146031
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -23.731
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: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -230.911257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.911257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.911257 (E_RNA)
where:
Base-Base interactions energy: -154.014
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.406
local terms energy: -76.491143
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -215.434152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.434152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.434152 (E_RNA)
where:
Base-Base interactions energy: -140.337
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.225
local terms energy: -74.872511
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -219.611365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.611365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.611365 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.023
local terms energy: -73.796782
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -18.026
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: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -143.640708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.640708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.640708 (E_RNA)
where:
Base-Base interactions energy: -84.679
where: short stacking energy: -36.644
Base-Backbone interact. energy: 0.621
local terms energy: -59.582476
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -175.476021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.476021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.476021 (E_RNA)
where:
Base-Base interactions energy: -113.056
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.180
local terms energy: -62.240532
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -119.107535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.107535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.107535 (E_RNA)
where:
Base-Base interactions energy: -64.604
where: short stacking energy: -43.811
Base-Backbone interact. energy: 0.545
local terms energy: -55.048900
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -90.713700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713700 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -28.296
Base-Backbone interact. energy: -0.417
local terms energy: -46.354402
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -79.990014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.990014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.990014 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -29.428
Base-Backbone interact. energy: 0.374
local terms energy: -50.255343
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -9.851
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: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -79.350998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.350998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.350998 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -18.242
Base-Backbone interact. energy: -0.190
local terms energy: -52.509362
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -4.353
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: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -230.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.072453 (E_RNA)
where:
Base-Base interactions energy: -150.470
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.077
local terms energy: -79.526261
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -227.610593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.610593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.610593 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.159
local terms energy: -75.260058
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -21.940
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: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -221.092050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092050 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.681
local terms energy: -70.287505
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -214.157760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.157760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.157760 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.002
local terms energy: -71.037968
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -20.367
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: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -199.157538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.157538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.157538 (E_RNA)
where:
Base-Base interactions energy: -135.667
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.716
local terms energy: -62.774907
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -5.085
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: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -147.520738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.520738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.520738 (E_RNA)
where:
Base-Base interactions energy: -87.009
where: short stacking energy: -56.889
Base-Backbone interact. energy: 0.897
local terms energy: -61.409564
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -110.971434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.971434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.971434 (E_RNA)
where:
Base-Base interactions energy: -58.897
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.081
local terms energy: -51.993324
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -93.097432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.097432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.097432 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.030
local terms energy: -52.933174
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -85.193989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193989 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.194
local terms energy: -48.712537
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -74.793210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.793210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.793210 (E_RNA)
where:
Base-Base interactions energy: -24.097
where: short stacking energy: -24.297
Base-Backbone interact. energy: -0.021
local terms energy: -50.675621
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: 0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -232.119472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.119472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.119472 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.146
local terms energy: -81.447932
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -225.848746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.848746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.848746 (E_RNA)
where:
Base-Base interactions energy: -148.550
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.041
local terms energy: -77.257155
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -226.136734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.136734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.136734 (E_RNA)
where:
Base-Base interactions energy: -143.398
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.158
local terms energy: -82.581559
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -184.766660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.766660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.766660 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.007
local terms energy: -61.055209
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -203.970021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970021 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.417
local terms energy: -67.403364
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -152.876275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.876275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.876275 (E_RNA)
where:
Base-Base interactions energy: -83.015
where: short stacking energy: -51.256
Base-Backbone interact. energy: 0.360
local terms energy: -70.221623
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -111.706544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.706544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.706544 (E_RNA)
where:
Base-Base interactions energy: -57.764
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.011
local terms energy: -53.931310
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -89.884702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.884702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.884702 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.072
local terms energy: -54.539480
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -7.519
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: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -83.244347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244347 (E_RNA)
where:
Base-Base interactions energy: -37.209
where: short stacking energy: -30.094
Base-Backbone interact. energy: 1.194
local terms energy: -47.230251
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -86.238622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.238622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.238622 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -31.221
Base-Backbone interact. energy: 0.182
local terms energy: -55.199623
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -221.469548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.469548 (E_RNA)
where:
Base-Base interactions energy: -145.878
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.575
local terms energy: -75.016551
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -222.654726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654726 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.100
local terms energy: -73.300605
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -21.978
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: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -207.419006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.419006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.419006 (E_RNA)
where:
Base-Base interactions energy: -146.238
where: short stacking energy: -53.325
Base-Backbone interact. energy: -1.014
local terms energy: -60.167533
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -220.139348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139348 (E_RNA)
where:
Base-Base interactions energy: -141.308
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.858
local terms energy: -77.973867
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -203.093751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.093751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.093751 (E_RNA)
where:
Base-Base interactions energy: -137.702
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.011
local terms energy: -65.380661
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -143.984980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.984980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.984980 (E_RNA)
where:
Base-Base interactions energy: -83.930
where: short stacking energy: -46.717
Base-Backbone interact. energy: -0.042
local terms energy: -60.013007
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -95.878624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878624 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.094
local terms energy: -51.702306
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -10.759
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: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -93.377889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.377889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.377889 (E_RNA)
where:
Base-Base interactions energy: -41.973
where: short stacking energy: -23.361
Base-Backbone interact. energy: -0.924
local terms energy: -50.480372
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -85.428421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.428421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.428421 (E_RNA)
where:
Base-Base interactions energy: -42.006
where: short stacking energy: -15.969
Base-Backbone interact. energy: -0.407
local terms energy: -43.015628
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -6.652
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: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -82.170836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170836 (E_RNA)
where:
Base-Base interactions energy: -27.079
where: short stacking energy: -27.079
Base-Backbone interact. energy: -0.171
local terms energy: -54.920387
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -13.256
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: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -232.774458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.774458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.774458 (E_RNA)
where:
Base-Base interactions energy: -153.570
where: short stacking energy: -76.349
Base-Backbone interact. energy: -0.025
local terms energy: -79.178924
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -221.730847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.730847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.730847 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.446
local terms energy: -79.567423
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -210.994781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.994781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.994781 (E_RNA)
where:
Base-Base interactions energy: -146.398
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.411
local terms energy: -64.185457
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -218.784150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.784150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.784150 (E_RNA)
where:
Base-Base interactions energy: -143.979
where: short stacking energy: -66.562
Base-Backbone interact. energy: 0.544
local terms energy: -75.348948
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -215.702590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.702590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.702590 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.001
local terms energy: -70.010030
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -20.284
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: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -145.653948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.653948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.653948 (E_RNA)
where:
Base-Base interactions energy: -88.052
where: short stacking energy: -47.538
Base-Backbone interact. energy: -0.342
local terms energy: -57.260162
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -10.071
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: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -80.386533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.386533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.386533 (E_RNA)
where:
Base-Base interactions energy: -24.541
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.362
local terms energy: -55.483062
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.933
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: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -84.985274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.985274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.985274 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.017
local terms energy: -55.420219
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -6.314
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: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -84.443055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443055 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.184
local terms energy: -43.384842
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -5.068
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -78.395230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.395230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.395230 (E_RNA)
where:
Base-Base interactions energy: -27.966
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.001
local terms energy: -50.428874
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -223.133985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.133985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.133985 (E_RNA)
where:
Base-Base interactions energy: -149.403
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.122
local terms energy: -73.609006
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -220.788477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788477 (E_RNA)
where:
Base-Base interactions energy: -147.013
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.452
local terms energy: -73.323326
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -224.812081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.812081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.812081 (E_RNA)
where:
Base-Base interactions energy: -159.522
where: short stacking energy: -77.829
Base-Backbone interact. energy: -0.030
local terms energy: -65.260193
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -195.638596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.638596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.638596 (E_RNA)
where:
Base-Base interactions energy: -120.419
where: short stacking energy: -59.784
Base-Backbone interact. energy: -1.732
local terms energy: -73.487488
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -205.238472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238472 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -70.795
Base-Backbone interact. energy: -0.051
local terms energy: -60.802446
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -146.155613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.155613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.155613 (E_RNA)
where:
Base-Base interactions energy: -84.289
where: short stacking energy: -53.939
Base-Backbone interact. energy: -0.101
local terms energy: -61.765458
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -86.552054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.552054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.552054 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.151
local terms energy: -49.914626
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -91.881717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881717 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.399
local terms energy: -52.468850
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -4.029
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: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -97.531154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.531154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.531154 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.154
local terms energy: -55.118914
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -7.130
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: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -74.395003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.395003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.395003 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -19.896
Base-Backbone interact. energy: -0.122
local terms energy: -41.131069
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -231.851258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.851258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.851258 (E_RNA)
where:
Base-Base interactions energy: -151.237
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.000
local terms energy: -80.613687
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -231.092616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.092616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.092616 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.030
local terms energy: -81.576025
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -224.485895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.485895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.485895 (E_RNA)
where:
Base-Base interactions energy: -145.077
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.002
local terms energy: -79.407617
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -186.616683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616683 (E_RNA)
where:
Base-Base interactions energy: -120.075
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.056
local terms energy: -66.485789
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -207.100373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.100373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.100373 (E_RNA)
where:
Base-Base interactions energy: -138.761
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.266
local terms energy: -68.073353
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -110.241139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.241139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.241139 (E_RNA)
where:
Base-Base interactions energy: -50.618
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.092
local terms energy: -59.531214
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -123.947044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.947044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.947044 (E_RNA)
where:
Base-Base interactions energy: -71.832
where: short stacking energy: -46.106
Base-Backbone interact. energy: -0.505
local terms energy: -51.609724
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -91.875018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.875018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.875018 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -34.977
Base-Backbone interact. energy: -0.693
local terms energy: -49.470722
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -80.987946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987946 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -16.344
Base-Backbone interact. energy: -0.496
local terms energy: -48.878823
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -76.349458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.349458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.349458 (E_RNA)
where:
Base-Base interactions energy: -24.516
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.213
local terms energy: -51.619968
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -2.227
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: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -231.430182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.430182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.430182 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -74.812
Base-Backbone interact. energy: 0.470
local terms energy: -79.702799
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -230.591375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.591375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.591375 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.060
local terms energy: -77.935596
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -219.918808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.918808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.918808 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -69.835
Base-Backbone interact. energy: -0.240
local terms energy: -66.212759
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -196.178297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.178297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.178297 (E_RNA)
where:
Base-Base interactions energy: -125.394
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.027
local terms energy: -70.758105
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -200.538704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538704 (E_RNA)
where:
Base-Base interactions energy: -142.116
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.171
local terms energy: -58.251583
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -11.036
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: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -97.954247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.954247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.954247 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -35.502
Base-Backbone interact. energy: -0.124
local terms energy: -55.872774
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -83.271360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.271360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.271360 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -29.500
Base-Backbone interact. energy: 1.136
local terms energy: -54.907771
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.053
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: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -126.976065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.976065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.976065 (E_RNA)
where:
Base-Base interactions energy: -76.362
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.008
local terms energy: -50.606601
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -74.934634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.934634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.934634 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -24.021
Base-Backbone interact. energy: -0.193
local terms energy: -44.494594
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: 3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -84.990933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990933 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -33.620
Base-Backbone interact. energy: -0.176
local terms energy: -49.791266
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -229.371868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.371868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371868 (E_RNA)
where:
Base-Base interactions energy: -149.458
where: short stacking energy: -71.914
Base-Backbone interact. energy: -0.000
local terms energy: -79.913364
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -20.287
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: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -219.286978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.286978 (E_RNA)
where:
Base-Base interactions energy: -147.696
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.207
local terms energy: -71.384278
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -20.369
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: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -217.292125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.292125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.292125 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.121
local terms energy: -75.251198
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -19.229
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: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -214.272307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.272307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.272307 (E_RNA)
where:
Base-Base interactions energy: -142.751
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.025
local terms energy: -71.496745
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -190.299665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.299665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.299665 (E_RNA)
where:
Base-Base interactions energy: -124.881
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.004
local terms energy: -65.414409
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.663
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: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -98.836034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.836034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.836034 (E_RNA)
where:
Base-Base interactions energy: -38.170
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.005
local terms energy: -60.661565
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -97.654313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.654313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.654313 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -36.664
Base-Backbone interact. energy: -0.144
local terms energy: -40.767301
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -2.639
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -93.439548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.439548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.439548 (E_RNA)
where:
Base-Base interactions energy: -52.787
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.214
local terms energy: -40.438643
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -87.888543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.888543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.888543 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.163
local terms energy: -51.363291
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -5.336
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: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -80.923894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.923894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.923894 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -25.404
Base-Backbone interact. energy: -0.163
local terms energy: -45.546595
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -0.228
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 11487251
moves confirmed later: 12557524
all moves confirmed: 24044775
percent of confirmed moves: 3.005597
current total energy: -191.996084
recalc. total energy: -191.996084
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 11999326
moves confirmed later: 13238355
all moves confirmed: 25237681
percent of confirmed moves: 3.154710
current total energy: -205.239047
recalc. total energy: -205.239047
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16441466
moves confirmed later: 19163912
all moves confirmed: 35605378
percent of confirmed moves: 4.450672
current total energy: -178.023194
recalc. total energy: -178.023194
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14401774
moves confirmed later: 16465112
all moves confirmed: 30866886
percent of confirmed moves: 3.858361
current total energy: -172.339755
recalc. total energy: -172.339755
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21064645
moves confirmed later: 25343349
all moves confirmed: 46407994
percent of confirmed moves: 5.800999
current total energy: -156.276649
recalc. total energy: -156.276649
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17231315
moves confirmed later: 20296833
all moves confirmed: 37528148
percent of confirmed moves: 4.691019
current total energy: -74.130763
recalc. total energy: -74.130763
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 14942572
moves confirmed later: 17281310
all moves confirmed: 32223882
percent of confirmed moves: 4.027985
current total energy: -22.683130
recalc. total energy: -22.683130
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24855243
moves confirmed later: 30375323
all moves confirmed: 55230566
percent of confirmed moves: 6.903821
current total energy: -64.503073
recalc. total energy: -64.503073
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 21407210
moves confirmed later: 25792976
all moves confirmed: 47200186
percent of confirmed moves: 5.900023
current total energy: -50.291549
recalc. total energy: -50.291549
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 21733736
moves confirmed later: 26255942
all moves confirmed: 47989678
percent of confirmed moves: 5.998710
current total energy: -34.536915
recalc. total energy: -34.536915
out arg RESULTS//1/USUV-9e59f090_01
Time of doing 8000000 iterations: 2897.400 seconds